4,4-bis(ethenyl)thiane

C9H14S — CID 175900342

IUPAC4,4-bis(ethenyl)thiane
SMILESC=CC1(C=C)CCSCC1
InChIInChI=1S/C9H14S/c1-3-9(4-2)5-7-10-8-6-9/h3-4H,1-2,5-8H2
InChIKeyTWKQMFLOEWMKNB-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.87
Rot. Bonds2

About 4,4-bis(ethenyl)thiane

4,4-bis(ethenyl)thiane (PubChem CID 175900342) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 4,4-bis(ethenyl)thiane.

Molecular Properties

Compound Name4,4-bis(ethenyl)thiane
PubChem CID175900342
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name4,4-bis(ethenyl)thiane
SMILESC=CC1(C=C)CCSCC1
InChIInChI=1S/C9H14S/c1-3-9(4-2)5-7-10-8-6-9/h3-4H,1-2,5-8H2
InChIKeyTWKQMFLOEWMKNB-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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

4-Ethenylthiane
CID 57312674
4-(Tert-butylsulfanylmethyl)-4-methylhex-1-ene
CID 88878088
4-(Tert-butylsulfanylmethyl)-4-ethylhepta-1,6-diene
CID 88878107
3,3-Dimethyl-2-pent-1-en-3-ylsulfanylpentane
CID 89195439
3-Butan-2-ylsulfanyl-4,4-dimethylhex-1-ene
CID 89226691
(Z)-3-ethyl-3-methyl-1-(3-methylpentan-3-ylsulfanyl)pent-1-ene
CID 143802984
4-Propa-1,2-dienylthiane
CID 145483614
But-1-ene;4,4-dimethylthiane
CID 158951789
4,4-Bis(ethenyl)thiane;platinum
CID 175900341
3,3-Dimethyl-2-methylidenethiane
CID 13360335
4-Prop-2-enylthiane
CID 130067807
4-(Iodomethyl)-4-prop-2-enylthiane
CID 130135751

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethenyl)thiane?
The IUPAC name of 4,4-bis(ethenyl)thiane (CID 175900342) is 4,4-bis(ethenyl)thiane.
What is the SMILES notation for 4,4-bis(ethenyl)thiane?
The canonical SMILES for 4,4-bis(ethenyl)thiane is C=CC1(C=C)CCSCC1.
What is the InChIKey of 4,4-bis(ethenyl)thiane?
The InChIKey is TWKQMFLOEWMKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-9(4-2)5-7-10-8-6-9/h3-4H,1-2,5-8H2.
What are the key properties of 4,4-bis(ethenyl)thiane?
4,4-bis(ethenyl)thiane has a molecular weight of 154.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethenyl)thiane is sourced from PubChem (CID 175900342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).