3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene

C10H12Cl2S — CID 83148975

IUPAC3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
SMILESCC(C1CC1)C(Cl)c1sccc1Cl
InChIInChI=1S/C10H12Cl2S/c1-6(7-2-3-7)9(12)10-8(11)4-5-13-10/h4-7,9H,2-3H2,1H3
InChIKeyRCUSAUGNVOXGKT-UHFFFAOYSA-N
MW235.18 g/mol
LogP4.73
Rot. Bonds3

About 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene

3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene (PubChem CID 83148975) has the molecular formula C10H12Cl2S and a molecular weight of 235.18 g/mol. Its IUPAC name is 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene.

Molecular Properties

Compound Name3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
PubChem CID83148975
Molecular FormulaC10H12Cl2S
Molecular Weight235.18 g/mol
Exact Mass234.00
IUPAC Name3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
SMILESCC(C1CC1)C(Cl)c1sccc1Cl
InChIInChI=1S/C10H12Cl2S/c1-6(7-2-3-7)9(12)10-8(11)4-5-13-10/h4-7,9H,2-3H2,1H3
InChIKeyRCUSAUGNVOXGKT-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene?
The IUPAC name of 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene (CID 83148975) is 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene.
What is the SMILES notation for 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene?
The canonical SMILES for 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene is CC(C1CC1)C(Cl)c1sccc1Cl.
What is the InChIKey of 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene?
The InChIKey is RCUSAUGNVOXGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2S/c1-6(7-2-3-7)9(12)10-8(11)4-5-13-10/h4-7,9H,2-3H2,1H3.
What are the key properties of 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene?
3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene has a molecular weight of 235.18 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene is sourced from PubChem (CID 83148975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).