3-chloro-2,5-dimethyl-2,3-dihydrothiophene

C6H9ClS — CID 146323217

IUPAC3-chloro-2,5-dimethyl-2,3-dihydrothiophene
SMILESCC1=CC(Cl)C(C)S1
InChIInChI=1S/C6H9ClS/c1-4-3-6(7)5(2)8-4/h3,5-6H,1-2H3
InChIKeyWRDVKTCCNNBGHX-UHFFFAOYSA-N
MW148.66 g/mol
LogP2.63
Rot. Bonds

About 3-chloro-2,5-dimethyl-2,3-dihydrothiophene

3-chloro-2,5-dimethyl-2,3-dihydrothiophene (PubChem CID 146323217) has the molecular formula C6H9ClS and a molecular weight of 148.66 g/mol. Its IUPAC name is 3-chloro-2,5-dimethyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-chloro-2,5-dimethyl-2,3-dihydrothiophene
PubChem CID146323217
Molecular FormulaC6H9ClS
Molecular Weight148.66 g/mol
Exact Mass148.01
IUPAC Name3-chloro-2,5-dimethyl-2,3-dihydrothiophene
SMILESCC1=CC(Cl)C(C)S1
InChIInChI=1S/C6H9ClS/c1-4-3-6(7)5(2)8-4/h3,5-6H,1-2H3
InChIKeyWRDVKTCCNNBGHX-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.66
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Butylsulfanyl)-3,4,5-trichloropent-2-ene
CID 71393206
5-(Butylsulfanyl)-1,1,3-trichloropent-2-ene
CID 71393207
1-(Butylsulfanyl)-3,5,5-trichloropent-2-ene
CID 71393208
2,3,5-Trimethyl-3-chloromethylthiophene
CID 129673190
2,5-Bis(chloromethyl)-2,5-dihydrothiophene
CID 134896615
3-(chloromethyl)-5,5-dimethyl-2H-thiophene
CID 19003453
2-Chloro-5-methyl-2,3-dihydrothiophene
CID 21655963
2-Chloro-5-propan-2-yl-2,3-dihydrothiophene
CID 68198110
2-(Chloromethyl)-2,5-dihydrothiophene
CID 70250103
5-chloro-2-[(E)-prop-1-enyl]-2,3-dihydrothiophene
CID 89069765
3-Bromo-2-chloro-5-ethyl-2,3-dihydrothiophene
CID 89146315
5-Butyl-2-chloro-2,3-dihydrothiophene
CID 91568490

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethyl-2,3-dihydrothiophene?
The IUPAC name of 3-chloro-2,5-dimethyl-2,3-dihydrothiophene (CID 146323217) is 3-chloro-2,5-dimethyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-chloro-2,5-dimethyl-2,3-dihydrothiophene?
The canonical SMILES for 3-chloro-2,5-dimethyl-2,3-dihydrothiophene is CC1=CC(Cl)C(C)S1.
What is the InChIKey of 3-chloro-2,5-dimethyl-2,3-dihydrothiophene?
The InChIKey is WRDVKTCCNNBGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClS/c1-4-3-6(7)5(2)8-4/h3,5-6H,1-2H3.
What are the key properties of 3-chloro-2,5-dimethyl-2,3-dihydrothiophene?
3-chloro-2,5-dimethyl-2,3-dihydrothiophene has a molecular weight of 148.66 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethyl-2,3-dihydrothiophene is sourced from PubChem (CID 146323217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).