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Home > Pyridines > 125382-42-5
125382-42-5 | 4-[(pyridin-3-ylmethyl)sulfanyl]aniline
CAS No: 125382-42-5 Catalog No: AG019PNH MDL No:MFCD02755401
Product Description
Catalog Number:
AG019PNH
Chemical Name:
4-[(pyridin-3-ylmethyl)sulfanyl]aniline
CAS Number:
125382-42-5
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD02755401
IUPAC Name:
4-(pyridin-3-ylmethylsulfanyl)aniline
InChI:
InChI=1S/C12H12N2S/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8H,9,13H2
InChI Key:
MMBPOQASTKXFCX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)SCc1cccnc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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