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913836-23-4 | S-Methyl thiazole-4-carbothioate
CAS No: 913836-23-4 Catalog No: AG003UA0 MDL No:MFCD08689508
Product Description
Catalog Number:
AG003UA0
Chemical Name:
S-Methyl thiazole-4-carbothioate
CAS Number:
913836-23-4
Molecular Formula:
C5H5NOS2
Molecular Weight:
159.2293
MDL Number:
MFCD08689508
IUPAC Name:
S-methyl 1,3-thiazole-4-carbothioate
InChI:
InChI=1S/C5H5NOS2/c1-8-5(7)4-2-9-3-6-4/h2-3H,1H3
InChI Key:
JCDANFLSZQWXJF-UHFFFAOYSA-N
SMILES:
CSC(=O)c1cscn1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.981g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.221g/mol
Monoisotopic Mass:
158.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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