3-cyclopropylthiane

C8H14S — CID 57306935

IUPAC3-cyclopropylthiane
SMILESC1CSCC(C2CC2)C1
InChIInChI=1S/C8H14S/c1-2-8(6-9-5-1)7-3-4-7/h7-8H,1-6H2
InChIKeyXOWZTYLEVPLHQE-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.54
Rot. Bonds1

About 3-cyclopropylthiane

3-cyclopropylthiane (PubChem CID 57306935) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 3-cyclopropylthiane.

Molecular Properties

Compound Name3-cyclopropylthiane
PubChem CID57306935
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name3-cyclopropylthiane
SMILESC1CSCC(C2CC2)C1
InChIInChI=1S/C8H14S/c1-2-8(6-9-5-1)7-3-4-7/h7-8H,1-6H2
InChIKeyXOWZTYLEVPLHQE-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylthiane?
The IUPAC name of 3-cyclopropylthiane (CID 57306935) is 3-cyclopropylthiane.
What is the SMILES notation for 3-cyclopropylthiane?
The canonical SMILES for 3-cyclopropylthiane is C1CSCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropylthiane?
The InChIKey is XOWZTYLEVPLHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-8(6-9-5-1)7-3-4-7/h7-8H,1-6H2.
What are the key properties of 3-cyclopropylthiane?
3-cyclopropylthiane has a molecular weight of 142.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylthiane is sourced from PubChem (CID 57306935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).