Synonyms	867-44-7 \| S-Methylisothiourea hemisulfate \| S-Methylisothiourea sulfate \| S-Methylisothiourea hemisulfate salt \| Carbamimidothioic acid, methyl ester, sulfate (2:1) \| 2-Methyl-2-thiopseudourea hemisulfate \| Bis(S-methylisothiouronium) sulfate \| S-Methylisothiourea sul
Specifications & Purity	10mM in Water
Biochemical and Physiological Mechanisms	Highly selective, potent competitive inhibitor of iNOS.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (1 Activities)

Discover Target: CYP2D6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)

Discover Target: CYP2C19

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	methyl carbamimidothioate;sulfuric acid
INCHI	InChI=1S/2C2H6N2S.H2O4S/c21-5-2(3)4;1-5(2,3)4/h21H3,(H3,3,4);(H2,1,2,3,4)
InChi Key	BZZXQZOBAUXLHZ-UHFFFAOYSA-N
Canonical SMILES	CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
Isomeric SMILES	CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
WGK Germany	3
RTECS	UM9200000
Molecular Weight	278.36
Beilstein	3717365
Reaxy-Rn	3917217
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917217&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Hygroscopic
Melt Point(°C)	240-241°C
Molecular Weight	278.400 g/mol
XLogP3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	278.018 Da
Monoisotopic Mass	278.018 Da
Topological Polar Surface Area	233.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	124.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H302:Harmful if swallowed
Precautionary Statements	P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help.
WGK Germany	3
RTECS	UM9200000
Reaxy-Rn	3917217
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917217&ln=

Specifications

Concentration(Compounding value)	9.0-11.0(mmol/L)
Appearance(Colorless Transparent Liquid)	Pass
Record the entire process by video	Conform

Specification Sheet

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yihang Wu, Zixiu Liu, Zhenxiu He, Jumei Yi, Xingfang Qiao, Chunbin Tan, Yajing Xing, Yaobo Zeng, Dajian Yang, Junlin Yin, Baomin Fan, Guangzhi Zeng. (2023) Cantharidin analogue alleviates dextran sulfate sodium-induced colitis in mice by inhibiting the activation of NF-κB signaling. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 260 (115731). [PMID:37643546] [10.1016/j.ejmech.2023.115731]

References

1. Yihang Wu, Zixiu Liu, Zhenxiu He, Jumei Yi, Xingfang Qiao, Chunbin Tan, Yajing Xing, Yaobo Zeng, Dajian Yang, Junlin Yin, Baomin Fan, Guangzhi Zeng. (2023) Cantharidin analogue alleviates dextran sulfate sodium-induced colitis in mice by inhibiting the activation of NF-κB signaling. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 260 (115731). [PMID:37643546] [10.1016/j.ejmech.2023.115731]

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S-Methylisothiourea Sulfate - 10mM in Water, high purity , CAS No.867-44-7

Basic Description