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10129-28-9 | Carbamothioic acid, N-phenyl-, S-(1-methylethyl) ester
CAS No: 10129-28-9 Catalog No: AG00045G MDL No:
Product Description
Catalog Number:
AG00045G
Chemical Name:
Carbamothioic acid, N-phenyl-, S-(1-methylethyl) ester
CAS Number:
10129-28-9
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
IUPAC Name:
S-propan-2-yl N-phenylcarbamothioate
InChI:
InChI=1S/C10H13NOS/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChI Key:
FIFBHCAODLQDTA-UHFFFAOYSA-N
SMILES:
CC(SC(=O)Nc1ccccc1)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.28g/mol
Monoisotopic Mass:
195.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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