N-(methyliminomethyl)thiophene-2-carboximidoyl chloride

C7H7ClN2S — CID 118390866

IUPACN-(methyliminomethyl)thiophene-2-carboximidoyl chloride
SMILESC/N=C/N=C(\Cl)c1cccs1
InChIInChI=1S/C7H7ClN2S/c1-9-5-10-7(8)6-3-2-4-11-6/h2-5H,1H3/b9-5+,10-7-
InChIKeyJMKZMHRBBKALNE-WMARFAMYSA-N
MW186.67 g/mol
LogP2.39
Rot. Bonds2

About N-(methyliminomethyl)thiophene-2-carboximidoyl chloride

N-(methyliminomethyl)thiophene-2-carboximidoyl chloride (PubChem CID 118390866) has the molecular formula C7H7ClN2S and a molecular weight of 186.67 g/mol. Its IUPAC name is N-(methyliminomethyl)thiophene-2-carboximidoyl chloride.

Molecular Properties

Compound NameN-(methyliminomethyl)thiophene-2-carboximidoyl chloride
PubChem CID118390866
Molecular FormulaC7H7ClN2S
Molecular Weight186.67 g/mol
Exact Mass186.00
IUPAC NameN-(methyliminomethyl)thiophene-2-carboximidoyl chloride
SMILESC/N=C/N=C(\Cl)c1cccs1
InChIInChI=1S/C7H7ClN2S/c1-9-5-10-7(8)6-3-2-4-11-6/h2-5H,1H3/b9-5+,10-7-
InChIKeyJMKZMHRBBKALNE-WMARFAMYSA-N
XLogP2.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.67
LogP ≤ 52.39
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

(E)-3-chloro-3-thiophen-2-ylprop-2-enal
CID 79002205
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
2-[(Z)-1-chlorobut-1-enyl]thiophene
CID 102087090
2-[chloro(thiophen-2-yl)methylidene]butanal
CID 53423304
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
(Z)-3-thiophen-2-ylbut-2-enal
CID 87836087
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768
N-(dithiophen-2-ylmethylidene)hydroxylamine
CID 2775140
3-chloro-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 142762455
(Z)-3-chloro-4,4-dimethyl-1-thiophen-2-ylpent-2-en-1-one
CID 154635046

Frequently Asked Questions

What is the IUPAC name of N-(methyliminomethyl)thiophene-2-carboximidoyl chloride?
The IUPAC name of N-(methyliminomethyl)thiophene-2-carboximidoyl chloride (CID 118390866) is N-(methyliminomethyl)thiophene-2-carboximidoyl chloride.
What is the SMILES notation for N-(methyliminomethyl)thiophene-2-carboximidoyl chloride?
The canonical SMILES for N-(methyliminomethyl)thiophene-2-carboximidoyl chloride is C/N=C/N=C(\Cl)c1cccs1.
What is the InChIKey of N-(methyliminomethyl)thiophene-2-carboximidoyl chloride?
The InChIKey is JMKZMHRBBKALNE-WMARFAMYSA-N. The full InChI is InChI=1S/C7H7ClN2S/c1-9-5-10-7(8)6-3-2-4-11-6/h2-5H,1H3/b9-5+,10-7-.
What are the key properties of N-(methyliminomethyl)thiophene-2-carboximidoyl chloride?
N-(methyliminomethyl)thiophene-2-carboximidoyl chloride has a molecular weight of 186.67 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyliminomethyl)thiophene-2-carboximidoyl chloride is sourced from PubChem (CID 118390866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).