Home Other Building Blocks 2-{[(2-methoxyphenyl)methyl]sulfanyl}aniline

2-{[(2-methoxyphenyl)methyl]sulfanyl}aniline

CAS No.:
1094690-40-0
Catalog Number:
AG01A1BF
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
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Product Description
Catalog Number:
AG01A1BF
Chemical Name:
2-{[(2-methoxyphenyl)methyl]sulfanyl}aniline
CAS Number:
1094690-40-0
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
MDL Number:
MFCD11619585
IUPAC Name:
2-[(2-methoxyphenyl)methylsulfanyl]aniline
InChI:
InChI=1S/C14H15NOS/c1-16-13-8-4-2-6-11(13)10-17-14-9-5-3-7-12(14)15/h2-9H,10,15H2,1H3
InChI Key:
QTAQCITZPUJHJV-UHFFFAOYSA-N
SMILES:
COc1ccccc1CSc1ccccc1N
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties