methyl N-methylbutanimidothioate

C6H13NS — CID 14433468

IUPACmethyl N-methylbutanimidothioate
SMILESCCC/C(=N/C)SC
InChIInChI=1S/C6H13NS/c1-4-5-6(7-2)8-3/h4-5H2,1-3H3/b7-6-
InChIKeyCOBCMEGHRJRDKI-SREVYHEPSA-N
MW131.24 g/mol
LogP2.18
Rot. Bonds2

About methyl N-methylbutanimidothioate

methyl N-methylbutanimidothioate (PubChem CID 14433468) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is methyl N-methylbutanimidothioate.

Molecular Properties

Compound Namemethyl N-methylbutanimidothioate
PubChem CID14433468
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Namemethyl N-methylbutanimidothioate
SMILESCCC/C(=N/C)SC
InChIInChI=1S/C6H13NS/c1-4-5-6(7-2)8-3/h4-5H2,1-3H3/b7-6-
InChIKeyCOBCMEGHRJRDKI-SREVYHEPSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of methyl N-methylbutanimidothioate?
The IUPAC name of methyl N-methylbutanimidothioate (CID 14433468) is methyl N-methylbutanimidothioate.
What is the SMILES notation for methyl N-methylbutanimidothioate?
The canonical SMILES for methyl N-methylbutanimidothioate is CCC/C(=N/C)SC.
What is the InChIKey of methyl N-methylbutanimidothioate?
The InChIKey is COBCMEGHRJRDKI-SREVYHEPSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-5-6(7-2)8-3/h4-5H2,1-3H3/b7-6-.
What are the key properties of methyl N-methylbutanimidothioate?
methyl N-methylbutanimidothioate has a molecular weight of 131.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methylbutanimidothioate is sourced from PubChem (CID 14433468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).