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Home Other Building Blocks 3,5-DI(METHYLTHIO)ISOTHIAZOLE-4-CARBOXAMIDE

3,5-DI(METHYLTHIO)ISOTHIAZOLE-4-CARBOXAMIDE

CAS No.:
4886-14-0
Catalog Number:
AG00DCNR
Molecular Formula:
C6H8N2OS3
Molecular Weight:
220.3355
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Product Description
Catalog Number:
AG00DCNR
Chemical Name:
3,5-DI(METHYLTHIO)ISOTHIAZOLE-4-CARBOXAMIDE
CAS Number:
4886-14-0
Molecular Formula:
C6H8N2OS3
Molecular Weight:
220.3355
MDL Number:
MFCD00052563
IUPAC Name:
3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
InChI:
InChI=1S/C6H8N2OS3/c1-10-5-3(4(7)9)6(11-2)12-8-5/h1-2H3,(H2,7,9)
InChI Key:
BCSXDEAYNLDINS-UHFFFAOYSA-N
SMILES:
CSc1snc(c1C(=O)N)SC
NSC Number:
379558
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.98g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.323g/mol
Monoisotopic Mass:
219.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties