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1342951-09-0 | 3-(methylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CAS No: 1342951-09-0 Catalog No: AG01AV76 MDL No:MFCD16865335
Product Description
Catalog Number:
AG01AV76
Chemical Name:
3-(methylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CAS Number:
1342951-09-0
Molecular Formula:
C11H12N2S2
Molecular Weight:
236.3564
MDL Number:
MFCD16865335
IUPAC Name:
3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)aniline
InChI:
InChI=1S/C11H12N2S2/c1-14-10-4-2-3-9(5-10)13-7-11-6-12-8-15-11/h2-6,8,13H,7H2,1H3
InChI Key:
YALNBSNIAIZFOK-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)NCc1cncs1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.351g/mol
Monoisotopic Mass:
236.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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