(1Z,3Z)-penta-1,3-diene-1-thiol

C5H8S — CID 126660407

IUPAC(1Z,3Z)-penta-1,3-diene-1-thiol
SMILESC/C=C\C=C/S
InChIInChI=1S/C5H8S/c1-2-3-4-5-6/h2-6H,1H3/b3-2-,5-4-
InChIKeyVDWRJERMZKBLCT-LDIADDGTSA-N
MW100.19 g/mol
LogP2.01
Rot. Bonds1

About (1Z,3Z)-penta-1,3-diene-1-thiol

(1Z,3Z)-penta-1,3-diene-1-thiol (PubChem CID 126660407) has the molecular formula C5H8S and a molecular weight of 100.19 g/mol. Its IUPAC name is (1Z,3Z)-penta-1,3-diene-1-thiol.

Molecular Properties

Compound Name(1Z,3Z)-penta-1,3-diene-1-thiol
PubChem CID126660407
Molecular FormulaC5H8S
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Name(1Z,3Z)-penta-1,3-diene-1-thiol
SMILESC/C=C\C=C/S
InChIInChI=1S/C5H8S/c1-2-3-4-5-6/h2-6H,1H3/b3-2-,5-4-
InChIKeyVDWRJERMZKBLCT-LDIADDGTSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4E)-hexa-2,4-diene
CID 22435466
(3Z)-buta-1,3-diene-1,4-dithiol
CID 131990576
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
potassium;hexa-2,4-diene;hydride
CID 174550949
ethane;(2E,4Z)-5-sulfanylpenta-2,4-dienal
CID 142915548
(1Z,3E)-4-(trimethyl-λ4-sulfanyl)buta-1,3-diene-1-thiol
CID 146613128
penta-1,3-dienylsilane
CID 149252410
carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)
CID 159087607
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
heptaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85-tritetracontaene
CID 91440201

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-penta-1,3-diene-1-thiol?
The IUPAC name of (1Z,3Z)-penta-1,3-diene-1-thiol (CID 126660407) is (1Z,3Z)-penta-1,3-diene-1-thiol.
What is the SMILES notation for (1Z,3Z)-penta-1,3-diene-1-thiol?
The canonical SMILES for (1Z,3Z)-penta-1,3-diene-1-thiol is C/C=C\C=C/S.
What is the InChIKey of (1Z,3Z)-penta-1,3-diene-1-thiol?
The InChIKey is VDWRJERMZKBLCT-LDIADDGTSA-N. The full InChI is InChI=1S/C5H8S/c1-2-3-4-5-6/h2-6H,1H3/b3-2-,5-4-.
What are the key properties of (1Z,3Z)-penta-1,3-diene-1-thiol?
(1Z,3Z)-penta-1,3-diene-1-thiol has a molecular weight of 100.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-penta-1,3-diene-1-thiol is sourced from PubChem (CID 126660407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).