(Z)-5-methylhept-2-ene-3-thiol

C8H16S — CID 134933103

IUPAC(Z)-5-methylhept-2-ene-3-thiol
SMILESC/C=C(\S)CC(C)CC
InChIInChI=1S/C8H16S/c1-4-7(3)6-8(9)5-2/h5,7,9H,4,6H2,1-3H3/b8-5-
InChIKeyNEFREDSDRRVQLU-YVMONPNESA-N
MW144.28 g/mol
LogP3.26
Rot. Bonds3

About (Z)-5-methylhept-2-ene-3-thiol

(Z)-5-methylhept-2-ene-3-thiol (PubChem CID 134933103) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (Z)-5-methylhept-2-ene-3-thiol.

Molecular Properties

Compound Name(Z)-5-methylhept-2-ene-3-thiol
PubChem CID134933103
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(Z)-5-methylhept-2-ene-3-thiol
SMILESC/C=C(\S)CC(C)CC
InChIInChI=1S/C8H16S/c1-4-7(3)6-8(9)5-2/h5,7,9H,4,6H2,1-3H3/b8-5-
InChIKeyNEFREDSDRRVQLU-YVMONPNESA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methylhept-2-ene-3-thiol?
The IUPAC name of (Z)-5-methylhept-2-ene-3-thiol (CID 134933103) is (Z)-5-methylhept-2-ene-3-thiol.
What is the SMILES notation for (Z)-5-methylhept-2-ene-3-thiol?
The canonical SMILES for (Z)-5-methylhept-2-ene-3-thiol is C/C=C(\S)CC(C)CC.
What is the InChIKey of (Z)-5-methylhept-2-ene-3-thiol?
The InChIKey is NEFREDSDRRVQLU-YVMONPNESA-N. The full InChI is InChI=1S/C8H16S/c1-4-7(3)6-8(9)5-2/h5,7,9H,4,6H2,1-3H3/b8-5-.
What are the key properties of (Z)-5-methylhept-2-ene-3-thiol?
(Z)-5-methylhept-2-ene-3-thiol has a molecular weight of 144.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methylhept-2-ene-3-thiol is sourced from PubChem (CID 134933103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).