200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 137664-76-7
137664-76-7 | 1,2-Butanediol, 3-(1,3-dithian-2-yl)-3-methyl-, (2S)-
CAS No: 137664-76-7 Catalog No: AG0013P3 MDL No:
Product Description
Catalog Number:
AG0013P3
Chemical Name:
1,2-Butanediol, 3-(1,3-dithian-2-yl)-3-methyl-, (2S)-
CAS Number:
137664-76-7
Molecular Formula:
C9H18O2S2
Molecular Weight:
222.3680
IUPAC Name:
(2S)-3-(1,3-dithian-2-yl)-3-methylbutane-1,2-diol
InChI:
InChI=1S/C9H18O2S2/c1-9(2,7(11)6-10)8-12-4-3-5-13-8/h7-8,10-11H,3-6H2,1-2H3/t7-/m1/s1
InChI Key:
REEWVJTUZNJAQE-SSDOTTSWSA-N
SMILES:
OC[C@H](C(C1SCCCS1)(C)C)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.361g/mol
Monoisotopic Mass:
222.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.