(2Z)-2-methylsulfanylpenta-2,4-dien-1-amine

C6H11NS — CID 138659001

IUPAC(2Z)-2-methylsulfanylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CN)SC
InChIInChI=1S/C6H11NS/c1-3-4-6(5-7)8-2/h3-4H,1,5,7H2,2H3/b6-4-
InChIKeyCAPGRDWFRHVWJQ-XQRVVYSFSA-N
MW129.23 g/mol
LogP1.38
Rot. Bonds3

About (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine

(2Z)-2-methylsulfanylpenta-2,4-dien-1-amine (PubChem CID 138659001) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-methylsulfanylpenta-2,4-dien-1-amine
PubChem CID138659001
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(2Z)-2-methylsulfanylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CN)SC
InChIInChI=1S/C6H11NS/c1-3-4-6(5-7)8-2/h3-4H,1,5,7H2,2H3/b6-4-
InChIKeyCAPGRDWFRHVWJQ-XQRVVYSFSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine (CID 138659001) is (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine is C=C/C=C(/CN)SC.
What is the InChIKey of (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine?
The InChIKey is CAPGRDWFRHVWJQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-4-6(5-7)8-2/h3-4H,1,5,7H2,2H3/b6-4-.
What are the key properties of (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine?
(2Z)-2-methylsulfanylpenta-2,4-dien-1-amine has a molecular weight of 129.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methylsulfanylpenta-2,4-dien-1-amine is sourced from PubChem (CID 138659001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).