Home Other Building Blocks 2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide

2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide

CAS No.:
51451-57-1
Catalog Number:
AG019MB9
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
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Product Description
Catalog Number:
AG019MB9
Chemical Name:
2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide
CAS Number:
51451-57-1
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
MDL Number:
MFCD10686732
IUPAC Name:
2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide
InChI:
InChI=1S/C6H8N2S2/c1-4-8-5(3-10-4)2-6(7)9/h3H,2H2,1H3,(H2,7,9)
InChI Key:
DIPOGENEJOSFDE-UHFFFAOYSA-N
SMILES:
Cc1nc(cs1)CC(=S)N
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.013g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.264g/mol
Monoisotopic Mass:
172.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties