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139331-76-3 | BENZENETHIOL, 2-AMINO-3-ETHYL-
CAS No: 139331-76-3 Catalog No: AG001ARC MDL No:
Product Description
Catalog Number:
AG001ARC
Chemical Name:
BENZENETHIOL, 2-AMINO-3-ETHYL-
CAS Number:
139331-76-3
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
IUPAC Name:
2-amino-3-ethylbenzenethiol
InChI:
InChI=1S/C8H11NS/c1-2-6-4-3-5-7(10)8(6)9/h3-5,10H,2,9H2,1H3
InChI Key:
UWCFOOVGHZNMLC-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1N)S
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.243g/mol
Monoisotopic Mass:
153.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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