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14758-37-3 | 1,3-Dithiane, 2-(methylthio)-
CAS No: 14758-37-3 Catalog No: AG001F06 MDL No:
Product Description
Catalog Number:
AG001F06
Chemical Name:
1,3-Dithiane, 2-(methylthio)-
CAS Number:
14758-37-3
Molecular Formula:
C5H10S3
Molecular Weight:
166.3279
IUPAC Name:
2-methylsulfanyl-1,3-dithiane
InChI:
InChI=1S/C5H10S3/c1-6-5-7-3-2-4-8-5/h5H,2-4H2,1H3
InChI Key:
ZBNRPLRWMTWWGU-UHFFFAOYSA-N
SMILES:
CSC1SCCCS1
NSC Number:
193353
Properties
Complexity:
58.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.994g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.315g/mol
Monoisotopic Mass:
165.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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