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1783-81-9 | Benzenamine, 3-(methylthio)-
CAS No: 1783-81-9 Catalog No: AG0025WU MDL No:MFCD00007793
Product Description
Catalog Number:
AG0025WU
Chemical Name:
Benzenamine, 3-(methylthio)-
CAS Number:
1783-81-9
Molecular Formula:
C7H9NS
Molecular Weight:
139.2181
MDL Number:
MFCD00007793
IUPAC Name:
3-methylsulfanylaniline
InChI:
InChI=1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
InChI Key:
KCHLDNLIJVSRPK-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)N
EC Number:
217-232-5
NSC Number:
66274
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.046g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.216g/mol
Monoisotopic Mass:
139.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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