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816431-22-8 | 2-Propanethiol, 1-[(2-aminophenyl)thio]-3-[(thiiranylmethyl)thio]-
CAS No: 816431-22-8 Catalog No: AG0051D5 MDL No:
Product Description
Catalog Number:
AG0051D5
Chemical Name:
2-Propanethiol, 1-[(2-aminophenyl)thio]-3-[(thiiranylmethyl)thio]-
CAS Number:
816431-22-8
Molecular Formula:
C12H17NS4
Molecular Weight:
303.5301
IUPAC Name:
1-(2-aminophenyl)sulfanyl-3-(thiiran-2-ylmethylsulfanyl)propane-2-thiol
InChI:
InChI=1S/C12H17NS4/c13-11-3-1-2-4-12(11)17-6-9(14)5-15-7-10-8-16-10/h1-4,9-10,14H,5-8,13H2
InChI Key:
PEXUPUSDTQJDOL-UHFFFAOYSA-N
SMILES:
SC(CSc1ccccc1N)CSCC1CS1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.515g/mol
Monoisotopic Mass:
303.024g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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