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20949-66-0 | 4(5H)-Thiazolone,2-(methylthio)-(9CI)
CAS No: 20949-66-0 Catalog No: AG00BGHV MDL No:MFCD02323098
Product Description
Catalog Number:
AG00BGHV
Chemical Name:
4(5H)-Thiazolone,2-(methylthio)-(9CI)
CAS Number:
20949-66-0
Molecular Formula:
C4H5NOS2
Molecular Weight:
147.2186
MDL Number:
MFCD02323098
IUPAC Name:
2-methylsulfanyl-1,3-thiazol-4-one
InChI:
InChI=1S/C4H5NOS2/c1-7-4-5-3(6)2-8-4/h2H2,1H3
InChI Key:
DYKDFDSOCOSLQI-UHFFFAOYSA-N
SMILES:
CSC1=NC(=O)CS1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.981g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.21g/mol
Monoisotopic Mass:
146.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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