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131538-00-6 | 1-Propanethiol, 2,3-bis[(2-mercaptoethyl)thio]-
CAS No: 131538-00-6 Catalog No: AG000ZDJ MDL No:
Product Description
Catalog Number:
AG000ZDJ
Chemical Name:
1-Propanethiol, 2,3-bis[(2-mercaptoethyl)thio]-
CAS Number:
131538-00-6
Molecular Formula:
C7H16S5
Molecular Weight:
260.5269
IUPAC Name:
2,3-bis(2-sulfanylethylsulfanyl)propane-1-thiol
InChI:
InChI=1S/C7H16S5/c8-1-3-11-6-7(5-10)12-4-2-9/h7-10H,1-6H2
InChI Key:
CEUQYYYUSUCFKP-UHFFFAOYSA-N
SMILES:
SCCSCC(SCCS)CS
EC Number:
411-290-7
Properties
Complexity:
87.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.505g/mol
Monoisotopic Mass:
259.986g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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