1-[(Z)-prop-1-enyl]sulfanylbutane

C7H14S — CID 21160112

IUPAC1-[(Z)-prop-1-enyl]sulfanylbutane
SMILESC/C=C\SCCCC
InChIInChI=1S/C7H14S/c1-3-5-7-8-6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4-
InChIKeyBQOGWZALJJSRCR-XQRVVYSFSA-N
MW130.26 g/mol
LogP3.05
Rot. Bonds4

About 1-[(Z)-prop-1-enyl]sulfanylbutane

1-[(Z)-prop-1-enyl]sulfanylbutane (PubChem CID 21160112) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]sulfanylbutane.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]sulfanylbutane
PubChem CID21160112
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name1-[(Z)-prop-1-enyl]sulfanylbutane
SMILESC/C=C\SCCCC
InChIInChI=1S/C7H14S/c1-3-5-7-8-6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4-
InChIKeyBQOGWZALJJSRCR-XQRVVYSFSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-prop-1-enyl]sulfanylpentane
CID 143331844
1-[(E)-prop-1-enyl]sulfanylpropane
CID 5366861
1-(2-chloroethylsulfanyl)-3-[(E)-prop-1-enyl]sulfanylpropane
CID 101106688
ethane;hexane;(Z)-1-methylsulfanylprop-1-ene
CID 167712236
1-(2-methoxyethylsulfanyl)prop-1-ene
CID 71371886
(Z)-1-butylsulfanyldec-1-en-3-yne
CID 102456339
3-hexylsulfanylprop-2-en-1-ol
CID 54232710
ethane;ethene;(Z)-1-ethylsulfanylprop-1-ene
CID 143200464
3-[(E)-3-butylsulfanylprop-2-enoyl]oxypropyl (E)-3-butylsulfanylprop-2-enoate
CID 140901807
[(Z)-prop-1-enyl]sulfanylmethanamine
CID 143909807
1-butylsulfanylbutane;hydroiodide
CID 160789075
1-(butyldisulfanyl)butane;copper
CID 159977501

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enyl]sulfanylbutane?
The IUPAC name of 1-[(Z)-prop-1-enyl]sulfanylbutane (CID 21160112) is 1-[(Z)-prop-1-enyl]sulfanylbutane.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]sulfanylbutane?
The canonical SMILES for 1-[(Z)-prop-1-enyl]sulfanylbutane is C/C=C\SCCCC.
What is the InChIKey of 1-[(Z)-prop-1-enyl]sulfanylbutane?
The InChIKey is BQOGWZALJJSRCR-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H14S/c1-3-5-7-8-6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4-.
What are the key properties of 1-[(Z)-prop-1-enyl]sulfanylbutane?
1-[(Z)-prop-1-enyl]sulfanylbutane has a molecular weight of 130.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]sulfanylbutane is sourced from PubChem (CID 21160112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).