cyclobutylmethyl ethanimidothioate

C7H13NS — CID 142153982

IUPACcyclobutylmethyl ethanimidothioate
SMILES[H]/N=C(\C)SCC1CCC1
InChIInChI=1S/C7H13NS/c1-6(8)9-5-7-3-2-4-7/h7-8H,2-5H2,1H3/b8-6+
InChIKeySPZWKELKEMZIQC-SOFGYWHQSA-N
MW143.26 g/mol
LogP2.52
Rot. Bonds2

About cyclobutylmethyl ethanimidothioate

cyclobutylmethyl ethanimidothioate (PubChem CID 142153982) has the molecular formula C7H13NS and a molecular weight of 143.26 g/mol. Its IUPAC name is cyclobutylmethyl ethanimidothioate.

Molecular Properties

Compound Namecyclobutylmethyl ethanimidothioate
PubChem CID142153982
Molecular FormulaC7H13NS
Molecular Weight143.26 g/mol
Exact Mass143.08
IUPAC Namecyclobutylmethyl ethanimidothioate
SMILES[H]/N=C(\C)SCC1CCC1
InChIInChI=1S/C7H13NS/c1-6(8)9-5-7-3-2-4-7/h7-8H,2-5H2,1H3/b8-6+
InChIKeySPZWKELKEMZIQC-SOFGYWHQSA-N
XLogP2.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.26
LogP ≤ 52.52
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

but-2-en-2-ylsulfanylmethylcyclohexane
CID 91299244
CID 58544106
CID 58544106
(4-ethanimidoylcycloheptyl)methanol
CID 142132644
cyclopropylmethyl N-(diaminomethylidene)carbamimidothioate
CID 83082831
cyclohexylmethyl N'-methylcarbamimidothioate
CID 130719804
potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane
CID 161222474
1-cyclopropylpropan-2-imine
CID 146731572
2-[7-(2-carbamimidoylsulfanylethyl)cyclododecyl]ethyl carbamimidothioate
CID 170227665
N-methyl-N-(oxan-3-ylmethyl)ethanimidamide
CID 63707795
1-[3-(cyclobutylmethylsulfanyl)azetidin-1-yl]ethanone
CID 139502626
3-cyclopentylpropanimidamide
CID 83681795
3-(cyclobutylmethylsulfanyl)propan-1-ol
CID 66127430

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl ethanimidothioate?
The IUPAC name of cyclobutylmethyl ethanimidothioate (CID 142153982) is cyclobutylmethyl ethanimidothioate.
What is the SMILES notation for cyclobutylmethyl ethanimidothioate?
The canonical SMILES for cyclobutylmethyl ethanimidothioate is [H]/N=C(\C)SCC1CCC1.
What is the InChIKey of cyclobutylmethyl ethanimidothioate?
The InChIKey is SPZWKELKEMZIQC-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(8)9-5-7-3-2-4-7/h7-8H,2-5H2,1H3/b8-6+.
What are the key properties of cyclobutylmethyl ethanimidothioate?
cyclobutylmethyl ethanimidothioate has a molecular weight of 143.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl ethanimidothioate is sourced from PubChem (CID 142153982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).