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111900-12-0 | Propenedithiol
CAS No: 111900-12-0 Catalog No: AG00840X MDL No:
Product Description
Catalog Number:
AG00840X
Chemical Name:
Propenedithiol
CAS Number:
111900-12-0
Molecular Formula:
C3H6S2
Molecular Weight:
106.2097
IUPAC Name:
prop-1-ene-1,1-dithiol
InChI:
InChI=1S/C3H6S2/c1-2-3(4)5/h2,4-5H,1H3
InChI Key:
LTXFOYBHWPNWIT-UHFFFAOYSA-N
SMILES:
CC=C(S)S
Properties
Complexity:
42.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.991g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
106.201g/mol
Monoisotopic Mass:
105.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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