methyl N,N'-di(propan-2-yl)carbamimidothioate

C8H18N2S — CID 2801579

IUPACmethyl N,N'-di(propan-2-yl)carbamimidothioate
SMILESCS/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C8H18N2S/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)
InChIKeyNIILKKYZENKKGL-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.11
Rot. Bonds2

About methyl N,N'-di(propan-2-yl)carbamimidothioate

methyl N,N'-di(propan-2-yl)carbamimidothioate (PubChem CID 2801579) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is methyl N,N'-di(propan-2-yl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N,N'-di(propan-2-yl)carbamimidothioate
PubChem CID2801579
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Namemethyl N,N'-di(propan-2-yl)carbamimidothioate
SMILESCS/C(=N\C(C)C)NC(C)C
InChIInChI=1S/C8H18N2S/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)
InChIKeyNIILKKYZENKKGL-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.11
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 methyl N,N'-di(propan-2-yl)carbamimidothioate?
The IUPAC name of methyl N,N'-di(propan-2-yl)carbamimidothioate (CID 2801579) is methyl N,N'-di(propan-2-yl)carbamimidothioate.
What is the SMILES notation for methyl N,N'-di(propan-2-yl)carbamimidothioate?
The canonical SMILES for methyl N,N'-di(propan-2-yl)carbamimidothioate is CS/C(=N\C(C)C)NC(C)C.
What is the InChIKey of methyl N,N'-di(propan-2-yl)carbamimidothioate?
The InChIKey is NIILKKYZENKKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10).
What are the key properties of methyl N,N'-di(propan-2-yl)carbamimidothioate?
methyl N,N'-di(propan-2-yl)carbamimidothioate has a molecular weight of 174.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-di(propan-2-yl)carbamimidothioate is sourced from PubChem (CID 2801579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).