4-ethenylthiane;propane

C10H20S — CID 143374226

IUPAC4-ethenylthiane;propane
SMILESC=CC1CCSCC1.CCC
InChIInChI=1S/C7H12S.C3H8/c1-2-7-3-5-8-6-4-7;1-3-2/h2,7H,1,3-6H2;3H2,1-2H3
InChIKeyUVBKDONKFYQMSK-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.73
Rot. Bonds1

About 4-ethenylthiane;propane

4-ethenylthiane;propane (PubChem CID 143374226) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-ethenylthiane;propane.

Molecular Properties

Compound Name4-ethenylthiane;propane
PubChem CID143374226
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name4-ethenylthiane;propane
SMILESC=CC1CCSCC1.CCC
InChIInChI=1S/C7H12S.C3H8/c1-2-7-3-5-8-6-4-7;1-3-2/h2,7H,1,3-6H2;3H2,1-2H3
InChIKeyUVBKDONKFYQMSK-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.73
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

1-Butylsulfanyl-2-prop-2-enylpent-4-ene-1-selone
CID 5325632
6-Tert-butylsulfanylhex-1-ene
CID 12385582
(2R,3R)-2-[(E)-pent-1-enyl]-3-prop-1-en-2-ylthiane
CID 134945717
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
(2S,3S)-2,3-dimethyl-3,4-dihydro-2H-thiopyran
CID 134996658
4-Ethylsulfanyl-3-methylpent-1-ene
CID 21573818
3-Prop-2-enylthiane
CID 130067813
1-Methyl-4-(3-methylbut-3-enyl)thian-1-ium
CID 20664953
4-Methyl-6-methylsulfanylhex-1-ene
CID 53759535
4-Ethyl-2-prop-2-enylthiane
CID 54118197
2-Prop-2-enyl-4-propylthiane
CID 54285710
2,3-dimethyl-3,4-dihydro-2H-thiopyran
CID 57193309

Frequently Asked Questions

What is the IUPAC name of 4-ethenylthiane;propane?
The IUPAC name of 4-ethenylthiane;propane (CID 143374226) is 4-ethenylthiane;propane.
What is the SMILES notation for 4-ethenylthiane;propane?
The canonical SMILES for 4-ethenylthiane;propane is C=CC1CCSCC1.CCC.
What is the InChIKey of 4-ethenylthiane;propane?
The InChIKey is UVBKDONKFYQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S.C3H8/c1-2-7-3-5-8-6-4-7;1-3-2/h2,7H,1,3-6H2;3H2,1-2H3.
What are the key properties of 4-ethenylthiane;propane?
4-ethenylthiane;propane has a molecular weight of 172.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylthiane;propane is sourced from PubChem (CID 143374226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).