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115044-39-8 | Phenol, 4-[(2-aminopropyl)thio]-
CAS No: 115044-39-8 Catalog No: AG000FR8 MDL No:
Product Description
Catalog Number:
AG000FR8
Chemical Name:
Phenol, 4-[(2-aminopropyl)thio]-
CAS Number:
115044-39-8
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
IUPAC Name:
4-(2-aminopropylsulfanyl)phenol
InChI:
InChI=1S/C9H13NOS/c1-7(10)6-12-9-4-2-8(11)3-5-9/h2-5,7,11H,6,10H2,1H3
InChI Key:
NOHIPOXNDXLSSO-UHFFFAOYSA-N
SMILES:
CC(CSc1ccc(cc1)O)N
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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