Home Halogens 2-{[(4-chlorophenyl)methyl]sulfanyl}acetonitrile

2-{[(4-chlorophenyl)methyl]sulfanyl}acetonitrile

CAS No.:
21681-87-8
Catalog Number:
AG01AUFZ
Molecular Formula:
C9H8ClNS
Molecular Weight:
197.6845
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Product Description
Catalog Number:
AG01AUFZ
Chemical Name:
2-{[(4-chlorophenyl)methyl]sulfanyl}acetonitrile
CAS Number:
21681-87-8
Molecular Formula:
C9H8ClNS
Molecular Weight:
197.6845
MDL Number:
MFCD15201033
IUPAC Name:
2-[(4-chlorophenyl)methylsulfanyl]acetonitrile
InChI:
InChI=1S/C9H8ClNS/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4H,6-7H2
InChI Key:
JMUXEZCHNRYQJU-UHFFFAOYSA-N
SMILES:
N#CCSCc1ccc(cc1)Cl
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.007g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.68g/mol
Monoisotopic Mass:
197.007g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties