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24949-35-7 | Propane, 1,3-bis(methylthio)-
CAS No: 24949-35-7 Catalog No: AG002PXT MDL No:MFCD00039811
Product Description
Catalog Number:
AG002PXT
Chemical Name:
Propane, 1,3-bis(methylthio)-
CAS Number:
24949-35-7
Molecular Formula:
C5H12S2
Molecular Weight:
136.2788
MDL Number:
MFCD00039811
IUPAC Name:
1,3-bis(methylsulfanyl)propane
InChI:
InChI=1S/C5H12S2/c1-6-4-3-5-7-2/h3-5H2,1-2H3
InChI Key:
JIZDZCFZPMIBPK-UHFFFAOYSA-N
SMILES:
CSCCCSC
Properties
Complexity:
25.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.038g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.271g/mol
Monoisotopic Mass:
136.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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