(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide

C10H15NS — CID 142205210

IUPAC(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide
SMILESC=C/C=C\C(=C/C)C(=S)N(C)C
InChIInChI=1S/C10H15NS/c1-5-7-8-9(6-2)10(12)11(3)4/h5-8H,1H2,2-4H3/b8-7-,9-6+
InChIKeyHGZMRTOMMFDKLI-SOKJVCRVSA-N
MW181.30 g/mol
LogP2.56
Rot. Bonds3

About (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide

(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide (PubChem CID 142205210) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide
PubChem CID142205210
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide
SMILESC=C/C=C\C(=C/C)C(=S)N(C)C
InChIInChI=1S/C10H15NS/c1-5-7-8-9(6-2)10(12)11(3)4/h5-8H,1H2,2-4H3/b8-7-,9-6+
InChIKeyHGZMRTOMMFDKLI-SOKJVCRVSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide?
The IUPAC name of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide (CID 142205210) is (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide.
What is the SMILES notation for (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide?
The canonical SMILES for (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide is C=C/C=C\C(=C/C)C(=S)N(C)C.
What is the InChIKey of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide?
The InChIKey is HGZMRTOMMFDKLI-SOKJVCRVSA-N. The full InChI is InChI=1S/C10H15NS/c1-5-7-8-9(6-2)10(12)11(3)4/h5-8H,1H2,2-4H3/b8-7-,9-6+.
What are the key properties of (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide?
(2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide has a molecular weight of 181.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-N,N-dimethylhexa-3,5-dienethioamide is sourced from PubChem (CID 142205210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).