methyl N-ethyl-4-methylpenta-2,3-dienimidothioate

C9H15NS — CID 11829857

IUPACmethyl N-ethyl-4-methylpenta-2,3-dienimidothioate
SMILESCC/N=C(/C=C=C(C)C)SC
InChIInChI=1S/C9H15NS/c1-5-10-9(11-4)7-6-8(2)3/h7H,5H2,1-4H3/b10-9-
InChIKeyWWIJZHSFBMEGRW-KTKRTIGZSA-N
MW169.29 g/mol
LogP2.89
Rot. Bonds2

About methyl N-ethyl-4-methylpenta-2,3-dienimidothioate

methyl N-ethyl-4-methylpenta-2,3-dienimidothioate (PubChem CID 11829857) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is methyl N-ethyl-4-methylpenta-2,3-dienimidothioate.

Molecular Properties

Compound Namemethyl N-ethyl-4-methylpenta-2,3-dienimidothioate
PubChem CID11829857
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Namemethyl N-ethyl-4-methylpenta-2,3-dienimidothioate
SMILESCC/N=C(/C=C=C(C)C)SC
InChIInChI=1S/C9H15NS/c1-5-10-9(11-4)7-6-8(2)3/h7H,5H2,1-4H3/b10-9-
InChIKeyWWIJZHSFBMEGRW-KTKRTIGZSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N-ethyl-4-methylpenta-2,3-dienimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-Dimethyl-5-methylthio-6-azaocta-2,3,5-triene
CID 11137789
methyl N-cyclopropyl-4-methylpenta-2,3-dien-imidothioate
CID 16202602
methyl N-methylbuta-2,3-dienimidothioate
CID 129864867
methyl N-methylprop-2-enimidothioate
CID 91101058
ethane;3-methyl-5-methylsulfanyl-2H-pyrrole
CID 143697999
3-methyl-5-methylsulfanyl-2H-pyrrole
CID 143698000

Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-4-methylpenta-2,3-dienimidothioate?
The IUPAC name of methyl N-ethyl-4-methylpenta-2,3-dienimidothioate (CID 11829857) is methyl N-ethyl-4-methylpenta-2,3-dienimidothioate.
What is the SMILES notation for methyl N-ethyl-4-methylpenta-2,3-dienimidothioate?
The canonical SMILES for methyl N-ethyl-4-methylpenta-2,3-dienimidothioate is CC/N=C(/C=C=C(C)C)SC.
What is the InChIKey of methyl N-ethyl-4-methylpenta-2,3-dienimidothioate?
The InChIKey is WWIJZHSFBMEGRW-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-10-9(11-4)7-6-8(2)3/h7H,5H2,1-4H3/b10-9-.
What are the key properties of methyl N-ethyl-4-methylpenta-2,3-dienimidothioate?
methyl N-ethyl-4-methylpenta-2,3-dienimidothioate has a molecular weight of 169.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-4-methylpenta-2,3-dienimidothioate is sourced from PubChem (CID 11829857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).