(1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene

C6H8S — CID 15939346

IUPAC(1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene
SMILESC1=C[C@@H]2CC[C@@H]2S1
InChIInChI=1S/C6H8S/c1-2-6-5(1)3-4-7-6/h3-6H,1-2H2/t5-,6-/m0/s1
InChIKeyCIOKSKZIJHWDKE-WDSKDSINSA-N
MW112.20 g/mol
LogP2.03
Rot. Bonds

About (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene

(1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene (PubChem CID 15939346) has the molecular formula C6H8S and a molecular weight of 112.20 g/mol. Its IUPAC name is (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene.

Molecular Properties

Compound Name(1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene
PubChem CID15939346
Molecular FormulaC6H8S
Molecular Weight112.20 g/mol
Exact Mass112.03
IUPAC Name(1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene
SMILESC1=C[C@@H]2CC[C@@H]2S1
InChIInChI=1S/C6H8S/c1-2-6-5(1)3-4-7-6/h3-6H,1-2H2/t5-,6-/m0/s1
InChIKeyCIOKSKZIJHWDKE-WDSKDSINSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene?
The IUPAC name of (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene (CID 15939346) is (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene.
What is the SMILES notation for (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene?
The canonical SMILES for (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene is C1=C[C@@H]2CC[C@@H]2S1.
What is the InChIKey of (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene?
The InChIKey is CIOKSKZIJHWDKE-WDSKDSINSA-N. The full InChI is InChI=1S/C6H8S/c1-2-6-5(1)3-4-7-6/h3-6H,1-2H2/t5-,6-/m0/s1.
What are the key properties of (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene?
(1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene has a molecular weight of 112.20 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2-thiabicyclo[3.2.0]hept-3-ene is sourced from PubChem (CID 15939346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).