200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88686-94-6
88686-94-6 | 1,3-Dithiolane, 2-(1-ethylbutyl)-
CAS No: 88686-94-6 Catalog No: AG00478L MDL No:
Product Description
Catalog Number:
AG00478L
Chemical Name:
1,3-Dithiolane, 2-(1-ethylbutyl)-
CAS Number:
88686-94-6
Molecular Formula:
C9H18S2
Molecular Weight:
190.3692
IUPAC Name:
2-hexan-3-yl-1,3-dithiolane
InChI:
InChI=1S/C9H18S2/c1-3-5-8(4-2)9-10-6-7-11-9/h8-9H,3-7H2,1-2H3
InChI Key:
PBKBQWIJPFXJTN-UHFFFAOYSA-N
SMILES:
CCCC(C1SCCS1)CC
Properties
Complexity:
97.7
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:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.