3,5-bis(ethenyl)thiane

C9H14S — CID 151939220

IUPAC3,5-bis(ethenyl)thiane
SMILESC=CC1CSCC(C=C)C1
InChIInChI=1S/C9H14S/c1-3-8-5-9(4-2)7-10-6-8/h3-4,8-9H,1-2,5-7H2
InChIKeyTUHLMEMSHPFFIG-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.73
Rot. Bonds2

About 3,5-bis(ethenyl)thiane

3,5-bis(ethenyl)thiane (PubChem CID 151939220) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 3,5-bis(ethenyl)thiane.

Molecular Properties

Compound Name3,5-bis(ethenyl)thiane
PubChem CID151939220
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name3,5-bis(ethenyl)thiane
SMILESC=CC1CSCC(C=C)C1
InChIInChI=1S/C9H14S/c1-3-8-5-9(4-2)7-10-6-8/h3-4,8-9H,1-2,5-7H2
InChIKeyTUHLMEMSHPFFIG-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.73
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

3-[(prop-2-enyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 14223532
3-{[(Prop-2-en-1-yl)sulfanyl]methyl}-3,4-dihydro-2H-thiopyran
CID 14223534
Thiabicyclo[3.3.1]nonadiene
CID 129823700
3-Prop-2-enylthiane
CID 130067813
(3R)-3-[(prop-2-enyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 162846130
2,4a,5,7,8,8a-Hexahydrothiopyrano[4,3-b]thiopyran
CID 20226297
4-Ethyl-2-prop-2-enylthiane
CID 54118197
2-Prop-2-enyl-4-propylthiane
CID 54285710
3-(2-Methylpropyl)-2,3-dihydrothiophene
CID 57025719
4-Ethenylthiane
CID 57312674
3-Propyl-2,3-dihydrothiophen-2-ide;yttrium
CID 59112149
3-Methyl-6-methylsulfanylhex-1-ene
CID 87187691

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(ethenyl)thiane?
The IUPAC name of 3,5-bis(ethenyl)thiane (CID 151939220) is 3,5-bis(ethenyl)thiane.
What is the SMILES notation for 3,5-bis(ethenyl)thiane?
The canonical SMILES for 3,5-bis(ethenyl)thiane is C=CC1CSCC(C=C)C1.
What is the InChIKey of 3,5-bis(ethenyl)thiane?
The InChIKey is TUHLMEMSHPFFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-8-5-9(4-2)7-10-6-8/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 3,5-bis(ethenyl)thiane?
3,5-bis(ethenyl)thiane has a molecular weight of 154.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethenyl)thiane is sourced from PubChem (CID 151939220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).