(2Z)-1-(methylamino)penta-2,4-diene-1-thiol

C6H11NS — CID 146595129

IUPAC(2Z)-1-(methylamino)penta-2,4-diene-1-thiol
SMILESC=C/C=C\C(S)NC
InChIInChI=1S/C6H11NS/c1-3-4-5-6(8)7-2/h3-8H,1H2,2H3/b5-4-
InChIKeyWRMVCBLPBVHELQ-PLNGDYQASA-N
MW129.23 g/mol
LogP1.20
Rot. Bonds3

About (2Z)-1-(methylamino)penta-2,4-diene-1-thiol

(2Z)-1-(methylamino)penta-2,4-diene-1-thiol (PubChem CID 146595129) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (2Z)-1-(methylamino)penta-2,4-diene-1-thiol.

Molecular Properties

Compound Name(2Z)-1-(methylamino)penta-2,4-diene-1-thiol
PubChem CID146595129
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(2Z)-1-(methylamino)penta-2,4-diene-1-thiol
SMILESC=C/C=C\C(S)NC
InChIInChI=1S/C6H11NS/c1-3-4-5-6(8)7-2/h3-8H,1H2,2H3/b5-4-
InChIKeyWRMVCBLPBVHELQ-PLNGDYQASA-N
XLogP1.20
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 (2Z)-1-(methylamino)penta-2,4-diene-1-thiol?
The IUPAC name of (2Z)-1-(methylamino)penta-2,4-diene-1-thiol (CID 146595129) is (2Z)-1-(methylamino)penta-2,4-diene-1-thiol.
What is the SMILES notation for (2Z)-1-(methylamino)penta-2,4-diene-1-thiol?
The canonical SMILES for (2Z)-1-(methylamino)penta-2,4-diene-1-thiol is C=C/C=C\C(S)NC.
What is the InChIKey of (2Z)-1-(methylamino)penta-2,4-diene-1-thiol?
The InChIKey is WRMVCBLPBVHELQ-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NS/c1-3-4-5-6(8)7-2/h3-8H,1H2,2H3/b5-4-.
What are the key properties of (2Z)-1-(methylamino)penta-2,4-diene-1-thiol?
(2Z)-1-(methylamino)penta-2,4-diene-1-thiol has a molecular weight of 129.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(methylamino)penta-2,4-diene-1-thiol is sourced from PubChem (CID 146595129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).