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1613-50-9 | Thiophene, 3-hexyltetrahydro-
CAS No: 1613-50-9 Catalog No: AG001SB3 MDL No:
Product Description
Catalog Number:
AG001SB3
Chemical Name:
Thiophene, 3-hexyltetrahydro-
CAS Number:
1613-50-9
Molecular Formula:
C10H20S
Molecular Weight:
172.3308
IUPAC Name:
3-hexylthiolane
InChI:
InChI=1S/C10H20S/c1-2-3-4-5-6-10-7-8-11-9-10/h10H,2-9H2,1H3
InChI Key:
LJXQODMODGLCFV-UHFFFAOYSA-N
SMILES:
CCCCCCC1CSCC1
Properties
Complexity:
90.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.129g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.33g/mol
Monoisotopic Mass:
172.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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