2-chloro-2,5-dihydrothiophene

C4H5ClS — CID 173053386

IUPAC2-chloro-2,5-dihydrothiophene
SMILESClC1C=CCS1
InChIInChI=1S/C4H5ClS/c5-4-2-1-3-6-4/h1-2,4H,3H2
InChIKeySAKVXVSEDDCIDT-UHFFFAOYSA-N
MW120.60 g/mol
LogP1.85
Rot. Bonds

About 2-chloro-2,5-dihydrothiophene

2-chloro-2,5-dihydrothiophene (PubChem CID 173053386) has the molecular formula C4H5ClS and a molecular weight of 120.60 g/mol. Its IUPAC name is 2-chloro-2,5-dihydrothiophene.

Molecular Properties

Compound Name2-chloro-2,5-dihydrothiophene
PubChem CID173053386
Molecular FormulaC4H5ClS
Molecular Weight120.60 g/mol
Exact Mass119.98
IUPAC Name2-chloro-2,5-dihydrothiophene
SMILESClC1C=CCS1
InChIInChI=1S/C4H5ClS/c5-4-2-1-3-6-4/h1-2,4H,3H2
InChIKeySAKVXVSEDDCIDT-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.60
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,5-dihydrothiophene?
The IUPAC name of 2-chloro-2,5-dihydrothiophene (CID 173053386) is 2-chloro-2,5-dihydrothiophene.
What is the SMILES notation for 2-chloro-2,5-dihydrothiophene?
The canonical SMILES for 2-chloro-2,5-dihydrothiophene is ClC1C=CCS1.
What is the InChIKey of 2-chloro-2,5-dihydrothiophene?
The InChIKey is SAKVXVSEDDCIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClS/c5-4-2-1-3-6-4/h1-2,4H,3H2.
What are the key properties of 2-chloro-2,5-dihydrothiophene?
2-chloro-2,5-dihydrothiophene has a molecular weight of 120.60 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,5-dihydrothiophene is sourced from PubChem (CID 173053386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).