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10129-33-6 | Carbamothioic acid, (3-chlorophenyl)-, S-ethyl ester (9CI)
CAS No: 10129-33-6 Catalog No: AG00045F MDL No:
Product Description
Catalog Number:
AG00045F
Chemical Name:
Carbamothioic acid, (3-chlorophenyl)-, S-ethyl ester (9CI)
CAS Number:
10129-33-6
Molecular Formula:
C9H10ClNOS
Molecular Weight:
215.6998
IUPAC Name:
S-ethyl N-(3-chlorophenyl)carbamothioate
InChI:
InChI=1S/C9H10ClNOS/c1-2-13-9(12)11-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H,11,12)
InChI Key:
ZWANOBAHTFXGKY-UHFFFAOYSA-N
SMILES:
CCSC(=O)Nc1cccc(c1)Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.695g/mol
Monoisotopic Mass:
215.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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