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126876-21-9 | Disulfide, methyl 1-(propylthio)propyl (9CI)
CAS No: 126876-21-9 Catalog No: AG000TEL MDL No:
Product Description
Catalog Number:
AG000TEL
Chemical Name:
Disulfide, methyl 1-(propylthio)propyl (9CI)
CAS Number:
126876-21-9
Molecular Formula:
C7H16S3
Molecular Weight:
196.3969
IUPAC Name:
1-(methyldisulfanyl)-1-propylsulfanylpropane
InChI:
InChI=1S/C7H16S3/c1-4-6-9-7(5-2)10-8-3/h7H,4-6H2,1-3H3
InChI Key:
QCPKKCRPPOQHIG-UHFFFAOYSA-N
SMILES:
CCCSC(SSC)CC
Properties
Complexity:
65.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.385g/mol
Monoisotopic Mass:
196.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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