Home Other Building Blocks 4-[(4-methoxyphenyl)sulfanyl]aniline

4-[(4-methoxyphenyl)sulfanyl]aniline

CAS No.:
14453-85-1
Catalog Number:
AG01AAEQ
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
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Product Description
Catalog Number:
AG01AAEQ
Chemical Name:
4-[(4-methoxyphenyl)sulfanyl]aniline
CAS Number:
14453-85-1
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
MDL Number:
MFCD11132356
IUPAC Name:
4-(4-methoxyphenyl)sulfanylaniline
InChI:
InChI=1S/C13H13NOS/c1-15-11-4-8-13(9-5-11)16-12-6-2-10(14)3-7-12/h2-9H,14H2,1H3
InChI Key:
AQVVQTSIDWYIBE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1ccc(cc1)N
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties