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

C7H10S — CID 58544247

IUPAC(1S,5R,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-XVMARJQXSA-N
MW126.22 g/mol
LogP2.27
Rot. Bonds1

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

(1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene (PubChem CID 58544247) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is (1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name(1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene
PubChem CID58544247
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name(1S,5R,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-XVMARJQXSA-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 (1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene?
The IUPAC name of (1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene (CID 58544247) is (1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for (1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for (1S,5R,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 (1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene?
The InChIKey is KTFYKMISBCFJRM-XVMARJQXSA-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 (1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene?
(1S,5R,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 (1S,5R,6S)-6-ethyl-2-thiabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 58544247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).