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149334-77-0 | 1,3-Propanedithiol, 2-[(2-mercaptoethyl)thio]-
CAS No: 149334-77-0 Catalog No: AG001LLL MDL No:
Product Description
Catalog Number:
AG001LLL
Chemical Name:
1,3-Propanedithiol, 2-[(2-mercaptoethyl)thio]-
CAS Number:
149334-77-0
Molecular Formula:
C5H12S4
Molecular Weight:
200.4088
IUPAC Name:
2-(2-sulfanylethylsulfanyl)propane-1,3-dithiol
InChI:
InChI=1S/C5H12S4/c6-1-2-9-5(3-7)4-8/h5-8H,1-4H2
InChI Key:
NQLQMVQEQFIDQB-UHFFFAOYSA-N
SMILES:
SCCSC(CS)CS
Properties
Complexity:
52.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.982g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.391g/mol
Monoisotopic Mass:
199.982g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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