(Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol

C7H11NS — CID 163403463

IUPAC(Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol
SMILESC=N/C=C\C(=C)CCS
InChIInChI=1S/C7H11NS/c1-7(4-6-9)3-5-8-2/h3,5,9H,1-2,4,6H2/b5-3-
InChIKeyYWVPLJJKMYVRJI-HYXAFXHYSA-N
MW141.24 g/mol
LogP2.08
Rot. Bonds4

About (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol

(Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol (PubChem CID 163403463) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol.

Molecular Properties

Compound Name(Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol
PubChem CID163403463
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name(Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol
SMILESC=N/C=C\C(=C)CCS
InChIInChI=1S/C7H11NS/c1-7(4-6-9)3-5-8-2/h3,5,9H,1-2,4,6H2/b5-3-
InChIKeyYWVPLJJKMYVRJI-HYXAFXHYSA-N
XLogP2.08
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol?
The IUPAC name of (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol (CID 163403463) is (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol.
What is the SMILES notation for (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol?
The canonical SMILES for (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol is C=N/C=C\C(=C)CCS.
What is the InChIKey of (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol?
The InChIKey is YWVPLJJKMYVRJI-HYXAFXHYSA-N. The full InChI is InChI=1S/C7H11NS/c1-7(4-6-9)3-5-8-2/h3,5,9H,1-2,4,6H2/b5-3-.
What are the key properties of (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol?
(Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol has a molecular weight of 141.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylidene-5-(methylideneamino)pent-4-ene-1-thiol is sourced from PubChem (CID 163403463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).