(1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene

C7H10S — CID 58544244

IUPAC(1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene
SMILESCC[C@H]1[C@@H]2C=CS[C@@H]21
InChIInChI=1S/C7H10S/c1-2-5-6-3-4-8-7(5)6/h3-7H,2H2,1H3/t5-,6-,7+/m0/s1
InChIKeyKTFYKMISBCFJRM-LYFYHCNISA-N
MW126.22 g/mol
LogP2.27
Rot. Bonds1

About (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene

(1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene (PubChem CID 58544244) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name(1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene
PubChem CID58544244
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name(1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene
SMILESCC[C@H]1[C@@H]2C=CS[C@@H]21
InChIInChI=1S/C7H10S/c1-2-5-6-3-4-8-7(5)6/h3-7H,2H2,1H3/t5-,6-,7+/m0/s1
InChIKeyKTFYKMISBCFJRM-LYFYHCNISA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene?
The IUPAC name of (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene (CID 58544244) is (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene is CC[C@H]1[C@@H]2C=CS[C@@H]21.
What is the InChIKey of (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene?
The InChIKey is KTFYKMISBCFJRM-LYFYHCNISA-N. The full InChI is InChI=1S/C7H10S/c1-2-5-6-3-4-8-7(5)6/h3-7H,2H2,1H3/t5-,6-,7+/m0/s1.
What are the key properties of (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene?
(1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene has a molecular weight of 126.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 58544244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).