methyl thiophene-3-carboximidate

C6H7NOS — CID 15211507

IUPACmethyl thiophene-3-carboximidate
SMILES[H]/N=C(\OC)c1ccsc1
InChIInChI=1S/C6H7NOS/c1-8-6(7)5-2-3-9-4-5/h2-4,7H,1H3/b7-6-
InChIKeyPQJPXXNRGXRFPF-SREVYHEPSA-N
MW141.19 g/mol
LogP1.72
Rot. Bonds1

About methyl thiophene-3-carboximidate

methyl thiophene-3-carboximidate (PubChem CID 15211507) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is methyl thiophene-3-carboximidate.

Molecular Properties

Compound Namemethyl thiophene-3-carboximidate
PubChem CID15211507
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Namemethyl thiophene-3-carboximidate
SMILES[H]/N=C(\OC)c1ccsc1
InChIInChI=1S/C6H7NOS/c1-8-6(7)5-2-3-9-4-5/h2-4,7H,1H3/b7-6-
InChIKeyPQJPXXNRGXRFPF-SREVYHEPSA-N
XLogP1.72
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N,N-dimethylthiophene-3-carboximidamide
CID 63181251
thiophene-3-carboximidamide;hydrochloride
CID 2779692
methyl 1-methyl-3-thiophen-3-ylpyrazole-5-carboximidate
CID 121211217
methyl 1-(2-fluoroethyl)-3-thiophen-3-ylpyrazole-5-carboximidate
CID 121211220
methyl 4-(2,5-dioxopyrrol-1-yl)benzenecarboximidate
CID 70612694
methyl 5-bromopyridine-3-carboximidate
CID 15211508
methyl 9-oxofluorene-2-carboximidate
CID 163643317
but-1-ene;2-thiophen-3-ylprop-2-en-1-imine
CID 143157882
methyl phenoxathiine-2-carboximidate
CID 71431493
4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide
CID 174444855
3-but-1-en-2-ylthiophene
CID 91086928
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604

Frequently Asked Questions

What is the IUPAC name of methyl thiophene-3-carboximidate?
The IUPAC name of methyl thiophene-3-carboximidate (CID 15211507) is methyl thiophene-3-carboximidate.
What is the SMILES notation for methyl thiophene-3-carboximidate?
The canonical SMILES for methyl thiophene-3-carboximidate is [H]/N=C(\OC)c1ccsc1.
What is the InChIKey of methyl thiophene-3-carboximidate?
The InChIKey is PQJPXXNRGXRFPF-SREVYHEPSA-N. The full InChI is InChI=1S/C6H7NOS/c1-8-6(7)5-2-3-9-4-5/h2-4,7H,1H3/b7-6-.
What are the key properties of methyl thiophene-3-carboximidate?
methyl thiophene-3-carboximidate has a molecular weight of 141.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thiophene-3-carboximidate is sourced from PubChem (CID 15211507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).