1,2-dichloroethane;thiophene;hydrochloride

C6H9Cl3S — CID 22412539

IUPAC1,2-dichloroethane;thiophene;hydrochloride
SMILESCl.ClCCCl.c1ccsc1
InChIInChI=1S/C4H4S.C2H4Cl2.ClH/c1-2-4-5-3-1;3-1-2-4;/h1-4H;1-2H2;1H
InChIKeyMWVZOAPCPVWYRK-UHFFFAOYSA-N
MW219.56 g/mol
LogP3.63
Rot. Bonds1

About 1,2-dichloroethane;thiophene;hydrochloride

1,2-dichloroethane;thiophene;hydrochloride (PubChem CID 22412539) has the molecular formula C6H9Cl3S and a molecular weight of 219.56 g/mol. Its IUPAC name is 1,2-dichloroethane;thiophene;hydrochloride.

Molecular Properties

Compound Name1,2-dichloroethane;thiophene;hydrochloride
PubChem CID22412539
Molecular FormulaC6H9Cl3S
Molecular Weight219.56 g/mol
Exact Mass217.95
IUPAC Name1,2-dichloroethane;thiophene;hydrochloride
SMILESCl.ClCCCl.c1ccsc1
InChIInChI=1S/C4H4S.C2H4Cl2.ClH/c1-2-4-5-3-1;3-1-2-4;/h1-4H;1-2H2;1H
InChIKeyMWVZOAPCPVWYRK-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.56
LogP ≤ 53.63
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 1,2-dichloroethane;thiophene;hydrochloride?
The IUPAC name of 1,2-dichloroethane;thiophene;hydrochloride (CID 22412539) is 1,2-dichloroethane;thiophene;hydrochloride.
What is the SMILES notation for 1,2-dichloroethane;thiophene;hydrochloride?
The canonical SMILES for 1,2-dichloroethane;thiophene;hydrochloride is Cl.ClCCCl.c1ccsc1.
What is the InChIKey of 1,2-dichloroethane;thiophene;hydrochloride?
The InChIKey is MWVZOAPCPVWYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C2H4Cl2.ClH/c1-2-4-5-3-1;3-1-2-4;/h1-4H;1-2H2;1H.
What are the key properties of 1,2-dichloroethane;thiophene;hydrochloride?
1,2-dichloroethane;thiophene;hydrochloride has a molecular weight of 219.56 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethane;thiophene;hydrochloride is sourced from PubChem (CID 22412539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).