N-propan-2-ylthiophene-2-carboximidoyl chloride

C8H10ClNS — CID 7131165

IUPACN-propan-2-ylthiophene-2-carboximidoyl chloride
SMILESCC(C)/N=C(\Cl)c1cccs1
InChIInChI=1S/C8H10ClNS/c1-6(2)10-8(9)7-4-3-5-11-7/h3-6H,1-2H3/b10-8-
InChIKeyXHZPNTWNMFCOPV-NTMALXAHSA-N
MW187.70 g/mol
LogP3.14
Rot. Bonds2

About N-propan-2-ylthiophene-2-carboximidoyl chloride

N-propan-2-ylthiophene-2-carboximidoyl chloride (PubChem CID 7131165) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is N-propan-2-ylthiophene-2-carboximidoyl chloride.

Molecular Properties

Compound NameN-propan-2-ylthiophene-2-carboximidoyl chloride
PubChem CID7131165
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC NameN-propan-2-ylthiophene-2-carboximidoyl chloride
SMILESCC(C)/N=C(\Cl)c1cccs1
InChIInChI=1S/C8H10ClNS/c1-6(2)10-8(9)7-4-3-5-11-7/h3-6H,1-2H3/b10-8-
InChIKeyXHZPNTWNMFCOPV-NTMALXAHSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylthiophene-2-carboximidoyl chloride?
The IUPAC name of N-propan-2-ylthiophene-2-carboximidoyl chloride (CID 7131165) is N-propan-2-ylthiophene-2-carboximidoyl chloride.
What is the SMILES notation for N-propan-2-ylthiophene-2-carboximidoyl chloride?
The canonical SMILES for N-propan-2-ylthiophene-2-carboximidoyl chloride is CC(C)/N=C(\Cl)c1cccs1.
What is the InChIKey of N-propan-2-ylthiophene-2-carboximidoyl chloride?
The InChIKey is XHZPNTWNMFCOPV-NTMALXAHSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-6(2)10-8(9)7-4-3-5-11-7/h3-6H,1-2H3/b10-8-.
What are the key properties of N-propan-2-ylthiophene-2-carboximidoyl chloride?
N-propan-2-ylthiophene-2-carboximidoyl chloride has a molecular weight of 187.70 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylthiophene-2-carboximidoyl chloride is sourced from PubChem (CID 7131165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).