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121781-91-7 | Carbamothioic acid, N-(4-methylphenyl)-, S-ethyl ester
CAS No: 121781-91-7 Catalog No: AG0015ZE MDL No:
Product Description
Catalog Number:
AG0015ZE
Chemical Name:
Carbamothioic acid, N-(4-methylphenyl)-, S-ethyl ester
CAS Number:
121781-91-7
Molecular Formula:
C10H13NOS
Molecular Weight:
195.2813
IUPAC Name:
S-ethyl N-(4-methylphenyl)carbamothioate
InChI:
InChI=1S/C10H13NOS/c1-3-13-10(12)11-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
InChI Key:
CZXCDNYHYLZEDL-UHFFFAOYSA-N
SMILES:
CCSC(=O)Nc1ccc(cc1)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
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