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13738-70-0 | Benzenamine, 4-[(phenylthio)methyl]-
CAS No: 13738-70-0 Catalog No: AG00138G MDL No:MFCD00739202
Product Description
Catalog Number:
AG00138G
Chemical Name:
Benzenamine, 4-[(phenylthio)methyl]-
CAS Number:
13738-70-0
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
MDL Number:
MFCD00739202
IUPAC Name:
4-(phenylsulfanylmethyl)aniline
InChI:
InChI=1S/C13H13NS/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10,14H2
InChI Key:
BETHGEVRYKIURN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CSc1ccccc1
NSC Number:
89479
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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