methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate

C10H17NS — CID 11137789

IUPACmethyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate
SMILESCS/C(C=C=C(C)C)=N\C(C)C
InChIInChI=1S/C10H17NS/c1-8(2)6-7-10(12-5)11-9(3)4/h7,9H,1-5H3/b11-10-
InChIKeyAIRWXNGHZFCOTP-KHPPLWFESA-N
MW183.32 g/mol
LogP3.28
Rot. Bonds2

About methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate

methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate (PubChem CID 11137789) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate.

Molecular Properties

Compound Namemethyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate
PubChem CID11137789
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Namemethyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate
SMILESCS/C(C=C=C(C)C)=N\C(C)C
InChIInChI=1S/C10H17NS/c1-8(2)6-7-10(12-5)11-9(3)4/h7,9H,1-5H3/b11-10-
InChIKeyAIRWXNGHZFCOTP-KHPPLWFESA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.28
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'}

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Related Compounds

methyl N-ethyl-4-methylpenta-2,3-dienimidothioate
CID 11829857
methyl N-cyclopropyl-4-methylpenta-2,3-dien-imidothioate
CID 16202602
methyl N-cyclohexyl-4-methylpenta-2,3-dienimidothioate
CID 11746247

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate?
The IUPAC name of methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate (CID 11137789) is methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate.
What is the SMILES notation for methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate?
The canonical SMILES for methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate is CS/C(C=C=C(C)C)=N\C(C)C.
What is the InChIKey of methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate?
The InChIKey is AIRWXNGHZFCOTP-KHPPLWFESA-N. The full InChI is InChI=1S/C10H17NS/c1-8(2)6-7-10(12-5)11-9(3)4/h7,9H,1-5H3/b11-10-.
What are the key properties of methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate?
methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate has a molecular weight of 183.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-N-propan-2-ylpenta-2,3-dienimidothioate is sourced from PubChem (CID 11137789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).