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88476-40-8 | Carbamothioic acid, phenyl-, S-(2-chloro-1,1-dimethylethyl) ester
CAS No: 88476-40-8 Catalog No: AG004AFX MDL No:
Product Description
Catalog Number:
AG004AFX
Chemical Name:
Carbamothioic acid, phenyl-, S-(2-chloro-1,1-dimethylethyl) ester
CAS Number:
88476-40-8
Molecular Formula:
C11H14ClNOS
Molecular Weight:
243.7530
IUPAC Name:
S-(1-chloro-2-methylpropan-2-yl) N-phenylcarbamothioate
InChI:
InChI=1S/C11H14ClNOS/c1-11(2,8-12)15-10(14)13-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChI Key:
IDQUHZRBGLZUNE-UHFFFAOYSA-N
SMILES:
ClCC(SC(=O)Nc1ccccc1)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.749g/mol
Monoisotopic Mass:
243.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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