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165549-94-0 | Carbamothioic acid, [4-chloro-3-(2-propynyloxy)phenyl]-, O-(1-methylethyl) ester (9CI)
CAS No: 165549-94-0 Catalog No: AG001W7M MDL No:
Product Description
Catalog Number:
AG001W7M
Chemical Name:
Carbamothioic acid, [4-chloro-3-(2-propynyloxy)phenyl]-, O-(1-methylethyl) ester (9CI)
CAS Number:
165549-94-0
Molecular Formula:
C13H14ClNO2S
Molecular Weight:
283.7738
IUPAC Name:
O-propan-2-yl N-(4-chloro-3-prop-2-ynoxyphenyl)carbamothioate
InChI:
InChI=1S/C13H14ClNO2S/c1-4-7-16-12-8-10(5-6-11(12)14)15-13(18)17-9(2)3/h1,5-6,8-9H,7H2,2-3H3,(H,15,18)
InChI Key:
ZKJPSDGMTGNTBD-UHFFFAOYSA-N
SMILES:
C#CCOc1cc(ccc1Cl)NC(=S)OC(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.77g/mol
Monoisotopic Mass:
283.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Activity of various thiocarboxanilide derivatives against wild-type and several mutant human immunodeficiency virus type 1 strains. | Antiviral research 19950601 |
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