3-prop-2-enylsulfanyl(314C)prop-1-ene

C6H10S — CID 173079528

IUPAC3-prop-2-enylsulfanyl(314C)prop-1-ene
SMILESC=CCS[14CH2]C=C
InChIInChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2/i5+2
InChIKeyUBJVUCKUDDKUJF-RHRFEJLCSA-N
MW116.21 g/mol
LogP2.09
Rot. Bonds4

About 3-prop-2-enylsulfanyl(314C)prop-1-ene

3-prop-2-enylsulfanyl(314C)prop-1-ene (PubChem CID 173079528) has the molecular formula C6H10S and a molecular weight of 116.21 g/mol. Its IUPAC name is 3-prop-2-enylsulfanyl(314C)prop-1-ene.

Molecular Properties

Compound Name3-prop-2-enylsulfanyl(314C)prop-1-ene
PubChem CID173079528
Molecular FormulaC6H10S
Molecular Weight116.21 g/mol
Exact Mass116.05
IUPAC Name3-prop-2-enylsulfanyl(314C)prop-1-ene
SMILESC=CCS[14CH2]C=C
InChIInChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2/i5+2
InChIKeyUBJVUCKUDDKUJF-RHRFEJLCSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro-bis(prop-2-enylsulfanyl)phosphane
CID 23280620
trimethyl(prop-2-enylsulfanyl)azanium
CID 174540923
5-prop-2-enylsulfanylpentane-1-thiol
CID 130508037
1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane
CID 20768493
3-prop-2-enylsulfanylprop-1-ene;urea
CID 174462951
lithium 3-(deuteriomethylsulfanyl)prop-1-ene
CID 71507025
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
5-prop-2-enylsulfanylpent-1-yne
CID 10464413
2-prop-2-enylsulfanylbutan-1-amine
CID 130507946
3-sulfosulfanylprop-1-ene
CID 10582995
prop-2-enyl N-methylmethanimidothioate
CID 163608318
2-methyl-3-prop-2-enylsulfanylbutane
CID 525492

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylsulfanyl(314C)prop-1-ene?
The IUPAC name of 3-prop-2-enylsulfanyl(314C)prop-1-ene (CID 173079528) is 3-prop-2-enylsulfanyl(314C)prop-1-ene.
What is the SMILES notation for 3-prop-2-enylsulfanyl(314C)prop-1-ene?
The canonical SMILES for 3-prop-2-enylsulfanyl(314C)prop-1-ene is C=CCS[14CH2]C=C.
What is the InChIKey of 3-prop-2-enylsulfanyl(314C)prop-1-ene?
The InChIKey is UBJVUCKUDDKUJF-RHRFEJLCSA-N. The full InChI is InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2/i5+2.
What are the key properties of 3-prop-2-enylsulfanyl(314C)prop-1-ene?
3-prop-2-enylsulfanyl(314C)prop-1-ene has a molecular weight of 116.21 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanyl(314C)prop-1-ene is sourced from PubChem (CID 173079528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).