Home Other Building Blocks 3-[(propan-2-ylsulfanyl)methyl]aniline

3-[(propan-2-ylsulfanyl)methyl]aniline

CAS No.:
1178430-80-2
Catalog Number:
AG01AKOZ
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
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Product Description
Catalog Number:
AG01AKOZ
Chemical Name:
3-[(propan-2-ylsulfanyl)methyl]aniline
CAS Number:
1178430-80-2
Molecular Formula:
C10H15NS
Molecular Weight:
181.2978
MDL Number:
MFCD12764215
IUPAC Name:
3-(propan-2-ylsulfanylmethyl)aniline
InChI:
InChI=1S/C10H15NS/c1-8(2)12-7-9-4-3-5-10(11)6-9/h3-6,8H,7,11H2,1-2H3
InChI Key:
SNXULZBTGIAFKI-UHFFFAOYSA-N
SMILES:
CC(SCc1cccc(c1)N)C
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.093g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.297g/mol
Monoisotopic Mass:
181.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties