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114317-75-8 | 2-Pyrrolidinethione, 4-(4-chlorophenyl)-
CAS No: 114317-75-8 Catalog No: AG000B2X MDL No:
Product Description
Catalog Number:
AG000B2X
Chemical Name:
2-Pyrrolidinethione, 4-(4-chlorophenyl)-
CAS Number:
114317-75-8
Molecular Formula:
C10H10ClNS
Molecular Weight:
211.7111
IUPAC Name:
4-(4-chlorophenyl)pyrrolidine-2-thione
InChI:
InChI=1S/C10H10ClNS/c11-9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)
InChI Key:
BPGCXQDQFWBHQQ-UHFFFAOYSA-N
SMILES:
S=C1NCC(C1)c1ccc(cc1)Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.707g/mol
Monoisotopic Mass:
211.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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