ethane;(3Z)-penta-1,3-diene-2-thiol

C7H14S — CID 144844063

IUPACethane;(3Z)-penta-1,3-diene-2-thiol
SMILESC=C(S)/C=C\C.CC
InChIInChI=1S/C5H8S.C2H6/c1-3-4-5(2)6;1-2/h3-4,6H,2H2,1H3;1-2H3/b4-3-;
InChIKeyKJTDXYDDSREFCJ-LNKPDPKZSA-N
MW130.26 g/mol
LogP3.03
Rot. Bonds1

About ethane;(3Z)-penta-1,3-diene-2-thiol

ethane;(3Z)-penta-1,3-diene-2-thiol (PubChem CID 144844063) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is ethane;(3Z)-penta-1,3-diene-2-thiol.

Molecular Properties

Compound Nameethane;(3Z)-penta-1,3-diene-2-thiol
PubChem CID144844063
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Nameethane;(3Z)-penta-1,3-diene-2-thiol
SMILESC=C(S)/C=C\C.CC
InChIInChI=1S/C5H8S.C2H6/c1-3-4-5(2)6;1-2/h3-4,6H,2H2,1H3;1-2H3/b4-3-;
InChIKeyKJTDXYDDSREFCJ-LNKPDPKZSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 53.03
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

ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(3Z,5E)-5-chlorohepta-1,3,5-triene-2-thiol
CID 89308104
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
ethane;(3Z)-5-methoxyhexa-1,3,5-triene-2-thiol
CID 143643726
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668
ethane;(Z,2E)-2-ethylidenepent-3-ene-1-thiol
CID 143332948
(3Z)-2-bromopenta-1,3-diene
CID 89363869
(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-triene-2-thiol
CID 88863446
ethane;ethene;(2Z,4Z)-3-ethylhexa-2,4-diene
CID 144709527
ethene;(Z)-2-methylidenepent-3-ene-1-thiol
CID 164863550

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-penta-1,3-diene-2-thiol?
The IUPAC name of ethane;(3Z)-penta-1,3-diene-2-thiol (CID 144844063) is ethane;(3Z)-penta-1,3-diene-2-thiol.
What is the SMILES notation for ethane;(3Z)-penta-1,3-diene-2-thiol?
The canonical SMILES for ethane;(3Z)-penta-1,3-diene-2-thiol is C=C(S)/C=C\C.CC.
What is the InChIKey of ethane;(3Z)-penta-1,3-diene-2-thiol?
The InChIKey is KJTDXYDDSREFCJ-LNKPDPKZSA-N. The full InChI is InChI=1S/C5H8S.C2H6/c1-3-4-5(2)6;1-2/h3-4,6H,2H2,1H3;1-2H3/b4-3-;.
What are the key properties of ethane;(3Z)-penta-1,3-diene-2-thiol?
ethane;(3Z)-penta-1,3-diene-2-thiol has a molecular weight of 130.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-penta-1,3-diene-2-thiol is sourced from PubChem (CID 144844063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).