Home Halogens 1-{[3-(chloromethyl)phenyl]sulfanyl}-N,N-dimethylformamide

1-{[3-(chloromethyl)phenyl]sulfanyl}-N,N-dimethylformamide

CAS No.:
1384428-27-6
Catalog Number:
AG019YR2
Molecular Formula:
C10H12ClNOS
Molecular Weight:
229.7264
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Product Description
Catalog Number:
AG019YR2
Chemical Name:
1-{[3-(chloromethyl)phenyl]sulfanyl}-N,N-dimethylformamide
CAS Number:
1384428-27-6
Molecular Formula:
C10H12ClNOS
Molecular Weight:
229.7264
MDL Number:
MFCD22196498
IUPAC Name:
S-[3-(chloromethyl)phenyl] N,N-dimethylcarbamothioate
InChI:
InChI=1S/C10H12ClNOS/c1-12(2)10(13)14-9-5-3-4-8(6-9)7-11/h3-6H,7H2,1-2H3
InChI Key:
GNNGBUGMUNAQQS-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)SC(=O)N(C)C
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.722g/mol
Monoisotopic Mass:
229.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties