ethene;(Z)-2-methylidenepent-3-ene-1-thiol

C8H14S — CID 164863550

IUPACethene;(Z)-2-methylidenepent-3-ene-1-thiol
SMILESC=C.C=C(/C=C\C)CS
InChIInChI=1S/C6H10S.C2H4/c1-3-4-6(2)5-7;1-2/h3-4,7H,2,5H2,1H3;1-2H2/b4-3-;
InChIKeyPAEZGEOUQFVAIF-LNKPDPKZSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds2

About ethene;(Z)-2-methylidenepent-3-ene-1-thiol

ethene;(Z)-2-methylidenepent-3-ene-1-thiol (PubChem CID 164863550) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is ethene;(Z)-2-methylidenepent-3-ene-1-thiol.

Molecular Properties

Compound Nameethene;(Z)-2-methylidenepent-3-ene-1-thiol
PubChem CID164863550
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Nameethene;(Z)-2-methylidenepent-3-ene-1-thiol
SMILESC=C.C=C(/C=C\C)CS
InChIInChI=1S/C6H10S.C2H4/c1-3-4-6(2)5-7;1-2/h3-4,7H,2,5H2,1H3;1-2H2/b4-3-;
InChIKeyPAEZGEOUQFVAIF-LNKPDPKZSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
ethane;(Z,2E)-2-ethylidenepent-3-ene-1-thiol
CID 143332948
ethane;ethene;(E)-4-methylideneundec-2-ene
CID 143978439
2-methyl-4-methylidenehept-5-en-2-amine
CID 54241827
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
ethane;(3Z)-penta-1,3-diene-2-thiol
CID 144844063
N-[(Z)-2-methylidenepent-3-enyl]formamide
CID 143724109
(E)-4-methylideneundec-2-ene
CID 13425645
(5Z)-N-methyl-4-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hepta-1,5-dien-2-amine
CID 118973859
ethene;(Z)-3-imino-5-methylideneoct-6-en-2-one
CID 145093202

Frequently Asked Questions

What is the IUPAC name of ethene;(Z)-2-methylidenepent-3-ene-1-thiol?
The IUPAC name of ethene;(Z)-2-methylidenepent-3-ene-1-thiol (CID 164863550) is ethene;(Z)-2-methylidenepent-3-ene-1-thiol.
What is the SMILES notation for ethene;(Z)-2-methylidenepent-3-ene-1-thiol?
The canonical SMILES for ethene;(Z)-2-methylidenepent-3-ene-1-thiol is C=C.C=C(/C=C\C)CS.
What is the InChIKey of ethene;(Z)-2-methylidenepent-3-ene-1-thiol?
The InChIKey is PAEZGEOUQFVAIF-LNKPDPKZSA-N. The full InChI is InChI=1S/C6H10S.C2H4/c1-3-4-6(2)5-7;1-2/h3-4,7H,2,5H2,1H3;1-2H2/b4-3-;.
What are the key properties of ethene;(Z)-2-methylidenepent-3-ene-1-thiol?
ethene;(Z)-2-methylidenepent-3-ene-1-thiol has a molecular weight of 142.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-2-methylidenepent-3-ene-1-thiol is sourced from PubChem (CID 164863550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).