2-methylpropyl N'-methylcarbamimidothioate

C6H14N2S — CID 126994362

IUPAC2-methylpropyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCC(C)C
InChIInChI=1S/C6H14N2S/c1-5(2)4-9-6(7)8-3/h5H,4H2,1-3H3,(H2,7,8)
InChIKeyAUXPYGPZNGHJFA-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.32
Rot. Bonds2

About 2-methylpropyl N'-methylcarbamimidothioate

2-methylpropyl N'-methylcarbamimidothioate (PubChem CID 126994362) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 2-methylpropyl N'-methylcarbamimidothioate.

Molecular Properties

Compound Name2-methylpropyl N'-methylcarbamimidothioate
PubChem CID126994362
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name2-methylpropyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCC(C)C
InChIInChI=1S/C6H14N2S/c1-5(2)4-9-6(7)8-3/h5H,4H2,1-3H3,(H2,7,8)
InChIKeyAUXPYGPZNGHJFA-UHFFFAOYSA-N
XLogP1.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.32
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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Related Compounds

2-methylpropyl N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 131224139
3,3-dimethylbutyl N'-methylcarbamimidothioate
CID 131224401
2-methylpropyl N'-(3,5-dimethylphenyl)carbamimidothioate
CID 8775455
2-hydroxypropyl N'-aminocarbamimidothioate
CID 77060896
2-methylpropyl N'-(2,5-dimethylphenyl)carbamimidothioate
CID 8776164
3-aminoprop-2-ynyl N'-methylcarbamimidothioate
CID 89009327
CID 157481837
CID 157481837
(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine
CID 143726609
2-(2-methylpropylsulfanylmethyl)guanidine
CID 21026485
(N'-methylcarbamimidoyl) methanimidothioate
CID 89101765
2-methylpropyl N-aminocarbamodithioate
CID 55280604
cyclohexylmethyl N'-methylcarbamimidothioate
CID 130719804

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N'-methylcarbamimidothioate?
The IUPAC name of 2-methylpropyl N'-methylcarbamimidothioate (CID 126994362) is 2-methylpropyl N'-methylcarbamimidothioate.
What is the SMILES notation for 2-methylpropyl N'-methylcarbamimidothioate?
The canonical SMILES for 2-methylpropyl N'-methylcarbamimidothioate is C/N=C(\N)SCC(C)C.
What is the InChIKey of 2-methylpropyl N'-methylcarbamimidothioate?
The InChIKey is AUXPYGPZNGHJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-5(2)4-9-6(7)8-3/h5H,4H2,1-3H3,(H2,7,8).
What are the key properties of 2-methylpropyl N'-methylcarbamimidothioate?
2-methylpropyl N'-methylcarbamimidothioate has a molecular weight of 146.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N'-methylcarbamimidothioate is sourced from PubChem (CID 126994362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).