(1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene

C8H10S — CID 10773050

IUPAC(1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene
SMILESC=C[C@H]1S[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H10S/c1-2-8-6-3-4-7(5-6)9-8/h2-4,6-8H,1,5H2/t6-,7+,8-/m1/s1
InChIKeyBPGFVSNXYUYVDH-GJMOJQLCSA-N
MW138.23 g/mol
LogP2.23
Rot. Bonds1

About (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene

(1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene (PubChem CID 10773050) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene.

Molecular Properties

Compound Name(1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene
PubChem CID10773050
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Name(1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene
SMILESC=C[C@H]1S[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H10S/c1-2-8-6-3-4-7(5-6)9-8/h2-4,6-8H,1,5H2/t6-,7+,8-/m1/s1
InChIKeyBPGFVSNXYUYVDH-GJMOJQLCSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-Thiabicyclo[4.3.0]non-3-ene
CID 144664
2-Thiabicyclo[2.2.1]hept-5-ene
CID 13429910
5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
3-(Methylsulfanylmethyl)cyclohexene
CID 12936957
7-Thianorbornene
CID 18619940
2,3,3a,7a-Tetrahydro-1-benzothiophene
CID 19417554
Tetrahydrobenzothiophene
CID 19831276
Hexahydro-benzo[b]thiophene
CID 67855462
Tetrahydro 4h cyclohepta [b]thiophene
CID 68935449
Spiro[bicyclo[2.2.1]hept-5-ene-2,2'-[1,3]dithiolane]
CID 576303
2-Ethenyl-2-prop-2-enylthiolane
CID 12351802
2-Cyclohex-3-en-1-ylthiirane
CID 12363491

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene?
The IUPAC name of (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene (CID 10773050) is (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene.
What is the SMILES notation for (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene?
The canonical SMILES for (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene is C=C[C@H]1S[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene?
The InChIKey is BPGFVSNXYUYVDH-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H10S/c1-2-8-6-3-4-7(5-6)9-8/h2-4,6-8H,1,5H2/t6-,7+,8-/m1/s1.
What are the key properties of (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene?
(1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene has a molecular weight of 138.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-3-ethenyl-2-thiabicyclo[2.2.1]hept-5-ene is sourced from PubChem (CID 10773050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).