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6969-14-8 | 4-([(4-CHLOROPHENYL)SULFANYL]METHYL)PHENYLAMINE
CAS No: 6969-14-8 Catalog No: AG00FAQW MDL No:MFCD00172478
Product Description
Catalog Number:
AG00FAQW
Chemical Name:
4-([(4-CHLOROPHENYL)SULFANYL]METHYL)PHENYLAMINE
CAS Number:
6969-14-8
Molecular Formula:
C13H12ClNS
Molecular Weight:
249.7591
MDL Number:
MFCD00172478
IUPAC Name:
4-[(4-chlorophenyl)sulfanylmethyl]aniline
InChI:
InChI=1S/C13H12ClNS/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-8H,9,15H2
InChI Key:
GLWJXRWRWISHMX-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CSc1ccc(cc1)Cl
NSC Number:
66210
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.756g/mol
Monoisotopic Mass:
249.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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