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Home > Other Building Blocks > 88101-60-4
88101-60-4 | 1,3-Dithiolane-4-methanol, 2-heptyl-, cis-
CAS No: 88101-60-4 Catalog No: AG004J1K MDL No:
Product Description
Catalog Number:
AG004J1K
Chemical Name:
1,3-Dithiolane-4-methanol, 2-heptyl-, cis-
CAS Number:
88101-60-4
Molecular Formula:
C11H22OS2
Molecular Weight:
234.4218
IUPAC Name:
[(2R,4S)-2-heptyl-1,3-dithiolan-4-yl]methanol
InChI:
InChI=1S/C11H22OS2/c1-2-3-4-5-6-7-11-13-9-10(8-12)14-11/h10-12H,2-9H2,1H3/t10-,11+/m0/s1
InChI Key:
GZADINWRBDSWFB-WDEREUQCSA-N
SMILES:
CCCCCCC[C@@H]1SC[C@@H](S1)CO
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
234.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.416g/mol
Monoisotopic Mass:
234.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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