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109-80-8 | 1,3-Dimercaptopropane
CAS No: 109-80-8 Catalog No: AG0032LS MDL No:MFCD00004904
Product Description
Catalog Number:
AG0032LS
Chemical Name:
1,3-Dimercaptopropane
CAS Number:
109-80-8
Molecular Formula:
C3H8S2
Molecular Weight:
108.2256
MDL Number:
MFCD00004904
IUPAC Name:
propane-1,3-dithiol
InChI:
InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
InChI Key:
ZJLMKPKYJBQJNH-UHFFFAOYSA-N
SMILES:
SCCCS
EC Number:
203-706-9
UNII:
R4LUJ82U52
FEMA Number:
3588
UN Number:
3336
Properties
Complexity:
12.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.007g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
108.217g/mol
Monoisotopic Mass:
108.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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