Home Halogens 2-(3-chlorophenylthio)acetic acid

2-(3-chlorophenylthio)acetic acid

CAS No.:
3996-38-1
Catalog Number:
AG00CI11
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00CI11
Chemical Name:
2-(3-chlorophenylthio)acetic acid
CAS Number:
3996-38-1
Molecular Formula:
C8H7ClO2S
Molecular Weight:
202.6580
MDL Number:
MFCD01910096
IUPAC Name:
2-(3-chlorophenyl)sulfanylacetic acid
InChI:
InChI=1S/C8H7ClO2S/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
QMOKVFCLFRLSTN-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1cccc(c1)Cl
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.652g/mol
Monoisotopic Mass:
201.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties