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150237-23-3 | 1,3-Dithiane, 2-butyl-2-methyl-
CAS No: 150237-23-3 Catalog No: AG001MFB MDL No:
Product Description
Catalog Number:
AG001MFB
Chemical Name:
1,3-Dithiane, 2-butyl-2-methyl-
CAS Number:
150237-23-3
Molecular Formula:
C9H18S2
Molecular Weight:
190.3692
IUPAC Name:
2-butyl-2-methyl-1,3-dithiane
InChI:
InChI=1S/C9H18S2/c1-3-4-6-9(2)10-7-5-8-11-9/h3-8H2,1-2H3
InChI Key:
VYCYDDZQKIGEFS-UHFFFAOYSA-N
SMILES:
CCCCC1(C)SCCCS1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.363g/mol
Monoisotopic Mass:
190.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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