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91615-65-5 | 4-Thiazolemethanethiol, 2-methyl-
CAS No: 91615-65-5 Catalog No: AG006S72 MDL No:
Product Description
Catalog Number:
AG006S72
Chemical Name:
4-Thiazolemethanethiol, 2-methyl-
CAS Number:
91615-65-5
Molecular Formula:
C5H7NS2
Molecular Weight:
145.2458
IUPAC Name:
(2-methyl-1,3-thiazol-4-yl)methanethiol
InChI:
InChI=1S/C5H7NS2/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
InChI Key:
LZWQEWCTTOVTFZ-UHFFFAOYSA-N
SMILES:
Cc1nc(cs1)CS
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.002g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.238g/mol
Monoisotopic Mass:
145.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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