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884507-27-1 | Benzenemethanamine,N-methyl-3-(3-thienyl)-
CAS No: 884507-27-1 Catalog No: AG004INX MDL No:MFCD08435893
Product Description
Catalog Number:
AG004INX
Chemical Name:
Benzenemethanamine,N-methyl-3-(3-thienyl)-
CAS Number:
884507-27-1
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
MDL Number:
MFCD08435893
IUPAC Name:
N-methyl-1-(3-thiophen-3-ylphenyl)methanamine
InChI:
InChI=1S/C12H13NS/c1-13-8-10-3-2-4-11(7-10)12-5-6-14-9-12/h2-7,9,13H,8H2,1H3
InChI Key:
SNXSVYZFYWVLHK-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1)c1ccsc1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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