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15049-98-6 | 1,2-Propanedithiol, 3-amino-
CAS No: 15049-98-6 Catalog No: AG001MNM MDL No:
Product Description
Catalog Number:
AG001MNM
Chemical Name:
1,2-Propanedithiol, 3-amino-
CAS Number:
15049-98-6
Molecular Formula:
C3H9NS2
Molecular Weight:
123.2403
IUPAC Name:
3-aminopropane-1,2-dithiol
InChI:
InChI=1S/C3H9NS2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2
InChI Key:
XVEUMDGQLIUQAE-UHFFFAOYSA-N
SMILES:
NCC(CS)S
Properties
Complexity:
32
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.018g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
123.232g/mol
Monoisotopic Mass:
123.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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