Home Halogens 4-chloro-2-[(phenylsulfanyl)methyl]pyrimidine

4-chloro-2-[(phenylsulfanyl)methyl]pyrimidine

CAS No.:
1483584-61-7
Catalog Number:
AG01BV0D
Molecular Formula:
C11H9ClN2S
Molecular Weight:
236.7206
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Product Description
Catalog Number:
AG01BV0D
Chemical Name:
4-chloro-2-[(phenylsulfanyl)methyl]pyrimidine
CAS Number:
1483584-61-7
Molecular Formula:
C11H9ClN2S
Molecular Weight:
236.7206
MDL Number:
MFCD21169787
IUPAC Name:
4-chloro-2-(phenylsulfanylmethyl)pyrimidine
InChI:
InChI=1S/C11H9ClN2S/c12-10-6-7-13-11(14-10)8-15-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
WHLZGNKUNRVSHP-UHFFFAOYSA-N
SMILES:
Clc1ccnc(n1)CSc1ccccc1
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.017g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.717g/mol
Monoisotopic Mass:
236.017g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties