Home Aminos 1-({3-[(dimethylamino)methyl]phenyl}sulfanyl)-N,N-dimethylformamide

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

CAS No.:
1311318-22-5
Catalog Number:
AG01AIMS
Molecular Formula:
C12H18N2OS
Molecular Weight:
238.3491
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Product Description
Catalog Number:
AG01AIMS
Chemical Name:
1-({3-[(dimethylamino)methyl]phenyl}sulfanyl)-N,N-dimethylformamide
CAS Number:
1311318-22-5
Molecular Formula:
C12H18N2OS
Molecular Weight:
238.3491
MDL Number:
MFCD18917334
IUPAC Name:
S-[3-[(dimethylamino)methyl]phenyl] N,N-dimethylcarbamothioate
InChI:
InChI=1S/C12H18N2OS/c1-13(2)9-10-6-5-7-11(8-10)16-12(15)14(3)4/h5-8H,9H2,1-4H3
InChI Key:
MWIXTTINIZSBDE-UHFFFAOYSA-N
SMILES:
CN(Cc1cccc(c1)SC(=O)N(C)C)C
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.114g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.349g/mol
Monoisotopic Mass:
238.114g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties