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113445-84-4 | Benzenecarbothioic acid, S-(dichloromethyl) ester
CAS No: 113445-84-4 Catalog No: AG0008LW MDL No:
Product Description
Catalog Number:
AG0008LW
Chemical Name:
Benzenecarbothioic acid, S-(dichloromethyl) ester
CAS Number:
113445-84-4
Molecular Formula:
C8H6Cl2OS
Molecular Weight:
221.1036
IUPAC Name:
S-(dichloromethyl) benzenecarbothioate
InChI:
InChI=1S/C8H6Cl2OS/c9-8(10)12-7(11)6-4-2-1-3-5-6/h1-5,8H
InChI Key:
GBVWEJHQFFRMBV-UHFFFAOYSA-N
SMILES:
ClC(SC(=O)c1ccccc1)Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.952g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.095g/mol
Monoisotopic Mass:
219.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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