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Home > Other Building Blocks > 84350-66-3
84350-66-3 | 1,3-Dithiolane-4-methanol, 2-butyl-, trans-
CAS No: 84350-66-3 Catalog No: AG00560J MDL No:
Product Description
Catalog Number:
AG00560J
Chemical Name:
1,3-Dithiolane-4-methanol, 2-butyl-, trans-
CAS Number:
84350-66-3
Molecular Formula:
C8H16OS2
Molecular Weight:
192.3420
IUPAC Name:
[(2R,4R)-2-butyl-1,3-dithiolan-4-yl]methanol
InChI:
InChI=1S/C8H16OS2/c1-2-3-4-8-10-6-7(5-9)11-8/h7-9H,2-6H2,1H3/t7-,8-/m1/s1
InChI Key:
HBVAOANVIFYOGE-HTQZYQBOSA-N
SMILES:
CCCC[C@@H]1SC[C@H](S1)CO
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
192.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.335g/mol
Monoisotopic Mass:
192.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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