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139120-68-6 | Thiophene, 2-[(4-chlorophenyl)thio]-
CAS No: 139120-68-6 Catalog No: AG001ABS MDL No:
Product Description
Catalog Number:
AG001ABS
Chemical Name:
Thiophene, 2-[(4-chlorophenyl)thio]-
CAS Number:
139120-68-6
Molecular Formula:
C10H7ClS2
Molecular Weight:
226.7456
IUPAC Name:
2-(4-chlorophenyl)sulfanylthiophene
InChI:
InChI=1S/C10H7ClS2/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-10/h1-7H
InChI Key:
PIAUZDSRZBRMNM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1cccs1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.968g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.736g/mol
Monoisotopic Mass:
225.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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