N-methyl-3H-thiophen-2-imine

C5H7NS — CID 123424228

IUPACN-methyl-3H-thiophen-2-imine
SMILESC/N=C1/CC=CS1
InChIInChI=1S/C5H7NS/c1-6-5-3-2-4-7-5/h2,4H,3H2,1H3/b6-5-
InChIKeyTXFXUHFTAZFXQT-WAYWQWQTSA-N
MW113.18 g/mol
LogP1.67
Rot. Bonds

About N-methyl-3H-thiophen-2-imine

N-methyl-3H-thiophen-2-imine (PubChem CID 123424228) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is N-methyl-3H-thiophen-2-imine.

Molecular Properties

Compound NameN-methyl-3H-thiophen-2-imine
PubChem CID123424228
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC NameN-methyl-3H-thiophen-2-imine
SMILESC/N=C1/CC=CS1
InChIInChI=1S/C5H7NS/c1-6-5-3-2-4-7-5/h2,4H,3H2,1H3/b6-5-
InChIKeyTXFXUHFTAZFXQT-WAYWQWQTSA-N
XLogP1.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Butenimidothioic acid, N-2-propenyl-, methyl ester
CID 12140002
2-methylsulfanyl-3H-pyrrole
CID 20668492
N-propan-2-yl-3H-thiophen-2-imine
CID 67744151
2-Prop-2-enyl-4,5-dihydro-1,3-thiazole
CID 69235546
2-Prop-2-enyl-1-sulfanylidene-1,3-thiazole
CID 69409151
2-Prop-2-enyl-1,3-thiazole-4-thione
CID 87060887
methyl N-methylbut-3-enimidothioate
CID 91074924
[(E)-3-methylbut-1-enyl] N,2-dimethylpropanimidothioate
CID 134353732
[(E)-but-1-enyl] N-methylethanimidothioate
CID 142855409
[(Z)-1-sulfanyl-1-[(E)-3H-thiophen-2-ylideneamino]prop-1-en-2-yl] thiohypochlorite
CID 143069384
2-But-3-en-2-yl-4,5-dihydro-1,3-thiazole
CID 144946163
2-But-3-enyl-4,5-dihydro-1,3-thiazole
CID 100981418

Frequently Asked Questions

What is the IUPAC name of N-methyl-3H-thiophen-2-imine?
The IUPAC name of N-methyl-3H-thiophen-2-imine (CID 123424228) is N-methyl-3H-thiophen-2-imine.
What is the SMILES notation for N-methyl-3H-thiophen-2-imine?
The canonical SMILES for N-methyl-3H-thiophen-2-imine is C/N=C1/CC=CS1.
What is the InChIKey of N-methyl-3H-thiophen-2-imine?
The InChIKey is TXFXUHFTAZFXQT-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H7NS/c1-6-5-3-2-4-7-5/h2,4H,3H2,1H3/b6-5-.
What are the key properties of N-methyl-3H-thiophen-2-imine?
N-methyl-3H-thiophen-2-imine has a molecular weight of 113.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3H-thiophen-2-imine is sourced from PubChem (CID 123424228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).