Home Other Building Blocks 3-[(cyclopentylmethyl)sulfanyl]aniline

3-[(cyclopentylmethyl)sulfanyl]aniline

CAS No.:
1339633-50-9
Catalog Number:
AG01A1I3
Molecular Formula:
C12H17NS
Molecular Weight:
207.3351
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Product Description
Catalog Number:
AG01A1I3
Chemical Name:
3-[(cyclopentylmethyl)sulfanyl]aniline
CAS Number:
1339633-50-9
Molecular Formula:
C12H17NS
Molecular Weight:
207.3351
MDL Number:
MFCD18271036
IUPAC Name:
3-(cyclopentylmethylsulfanyl)aniline
InChI:
InChI=1S/C12H17NS/c13-11-6-3-7-12(8-11)14-9-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9,13H2
InChI Key:
UAUYASGJFKWCOD-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)SCC1CCCC1
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.108g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.335g/mol
Monoisotopic Mass:
207.108g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties