methyl N-tert-butylmethanimidothioate

C6H13NS — CID 146178508

IUPACmethyl N-tert-butylmethanimidothioate
SMILESCS/C=N/C(C)(C)C
InChIInChI=1S/C6H13NS/c1-6(2,3)7-5-8-4/h5H,1-4H3/b7-5+
InChIKeyMDSGDGDLGBTDTM-FNORWQNLSA-N
MW131.24 g/mol
LogP2.18
Rot. Bonds1

About methyl N-tert-butylmethanimidothioate

methyl N-tert-butylmethanimidothioate (PubChem CID 146178508) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is methyl N-tert-butylmethanimidothioate.

Molecular Properties

Compound Namemethyl N-tert-butylmethanimidothioate
PubChem CID146178508
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Namemethyl N-tert-butylmethanimidothioate
SMILESCS/C=N/C(C)(C)C
InChIInChI=1S/C6H13NS/c1-6(2,3)7-5-8-4/h5H,1-4H3/b7-5+
InChIKeyMDSGDGDLGBTDTM-FNORWQNLSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 52.18
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

tert-butyl N-tert-butylmethanimidothioate
CID 58049912
methyl N-propan-2-ylmethanimidothioate
CID 123922805
methyl N-butan-2-ylmethanimidothioate
CID 139375357
Methyl tert-butylcarbonochloridimidothioate
CID 13158175

Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butylmethanimidothioate?
The IUPAC name of methyl N-tert-butylmethanimidothioate (CID 146178508) is methyl N-tert-butylmethanimidothioate.
What is the SMILES notation for methyl N-tert-butylmethanimidothioate?
The canonical SMILES for methyl N-tert-butylmethanimidothioate is CS/C=N/C(C)(C)C.
What is the InChIKey of methyl N-tert-butylmethanimidothioate?
The InChIKey is MDSGDGDLGBTDTM-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(2,3)7-5-8-4/h5H,1-4H3/b7-5+.
What are the key properties of methyl N-tert-butylmethanimidothioate?
methyl N-tert-butylmethanimidothioate has a molecular weight of 131.24 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butylmethanimidothioate is sourced from PubChem (CID 146178508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).