(3S)-3-(2,2-dimethylbutyl)thiolane

C10H20S — CID 89392781

IUPAC(3S)-3-(2,2-dimethylbutyl)thiolane
SMILESCCC(C)(C)C[C@H]1CCSC1
InChIInChI=1S/C10H20S/c1-4-10(2,3)7-9-5-6-11-8-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyXDVCDQVIRLKHQR-SECBINFHSA-N
MW172.34 g/mol
LogP3.57
Rot. Bonds3

About (3S)-3-(2,2-dimethylbutyl)thiolane

(3S)-3-(2,2-dimethylbutyl)thiolane (PubChem CID 89392781) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (3S)-3-(2,2-dimethylbutyl)thiolane.

Molecular Properties

Compound Name(3S)-3-(2,2-dimethylbutyl)thiolane
PubChem CID89392781
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(3S)-3-(2,2-dimethylbutyl)thiolane
SMILESCCC(C)(C)C[C@H]1CCSC1
InChIInChI=1S/C10H20S/c1-4-10(2,3)7-9-5-6-11-8-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyXDVCDQVIRLKHQR-SECBINFHSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-dimethylbutyl)thiolane?
The IUPAC name of (3S)-3-(2,2-dimethylbutyl)thiolane (CID 89392781) is (3S)-3-(2,2-dimethylbutyl)thiolane.
What is the SMILES notation for (3S)-3-(2,2-dimethylbutyl)thiolane?
The canonical SMILES for (3S)-3-(2,2-dimethylbutyl)thiolane is CCC(C)(C)C[C@H]1CCSC1.
What is the InChIKey of (3S)-3-(2,2-dimethylbutyl)thiolane?
The InChIKey is XDVCDQVIRLKHQR-SECBINFHSA-N. The full InChI is InChI=1S/C10H20S/c1-4-10(2,3)7-9-5-6-11-8-9/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (3S)-3-(2,2-dimethylbutyl)thiolane?
(3S)-3-(2,2-dimethylbutyl)thiolane has a molecular weight of 172.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-dimethylbutyl)thiolane is sourced from PubChem (CID 89392781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).