2-methylpropyl N'-(3-methylbutyl)carbamimidothioate

C10H22N2S — CID 75363272

IUPAC2-methylpropyl N'-(3-methylbutyl)carbamimidothioate
SMILESCC(C)CC/N=C(/N)SCC(C)C
InChIInChI=1S/C10H22N2S/c1-8(2)5-6-12-10(11)13-7-9(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12)
InChIKeyLMFKCKDHZITOAK-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.74
Rot. Bonds5

About 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate

2-methylpropyl N'-(3-methylbutyl)carbamimidothioate (PubChem CID 75363272) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate.

Molecular Properties

Compound Name2-methylpropyl N'-(3-methylbutyl)carbamimidothioate
PubChem CID75363272
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-methylpropyl N'-(3-methylbutyl)carbamimidothioate
SMILESCC(C)CC/N=C(/N)SCC(C)C
InChIInChI=1S/C10H22N2S/c1-8(2)5-6-12-10(11)13-7-9(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12)
InChIKeyLMFKCKDHZITOAK-UHFFFAOYSA-N
XLogP2.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate?
The IUPAC name of 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate (CID 75363272) is 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate.
What is the SMILES notation for 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate?
The canonical SMILES for 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate is CC(C)CC/N=C(/N)SCC(C)C.
What is the InChIKey of 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate?
The InChIKey is LMFKCKDHZITOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-8(2)5-6-12-10(11)13-7-9(3)4/h8-9H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate?
2-methylpropyl N'-(3-methylbutyl)carbamimidothioate has a molecular weight of 202.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N'-(3-methylbutyl)carbamimidothioate is sourced from PubChem (CID 75363272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).