2,3-dichloro-5-(chloromethyl)thiophene

C5H3Cl3S — CID 15124910

IUPAC2,3-dichloro-5-(chloromethyl)thiophene
SMILESClCc1cc(Cl)c(Cl)s1
InChIInChI=1S/C5H3Cl3S/c6-2-3-1-4(7)5(8)9-3/h1H,2H2
InChIKeyMBQVOLQRHGGHHE-UHFFFAOYSA-N
MW201.50 g/mol
LogP3.79
Rot. Bonds1

About 2,3-dichloro-5-(chloromethyl)thiophene

2,3-dichloro-5-(chloromethyl)thiophene (PubChem CID 15124910) has the molecular formula C5H3Cl3S and a molecular weight of 201.50 g/mol. Its IUPAC name is 2,3-dichloro-5-(chloromethyl)thiophene.

Molecular Properties

Compound Name2,3-dichloro-5-(chloromethyl)thiophene
PubChem CID15124910
Molecular FormulaC5H3Cl3S
Molecular Weight201.50 g/mol
Exact Mass199.90
IUPAC Name2,3-dichloro-5-(chloromethyl)thiophene
SMILESClCc1cc(Cl)c(Cl)s1
InChIInChI=1S/C5H3Cl3S/c6-2-3-1-4(7)5(8)9-3/h1H,2H2
InChIKeyMBQVOLQRHGGHHE-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.50
LogP ≤ 53.79
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

Thiophene, 2-chloro-5-methyl-
CID 140208
2-Chloro-5-(chloromethyl)thiophene
CID 583079
3-Bromo-2-chloro-5-(chloromethyl)thiophene
CID 102836266
2-Chloro-5-ethynylthiophene
CID 15597422
3-Chloro-2-(chloromethyl)thiophene
CID 13763433
2-Chloro-5-(trifluoromethyl)thiophene
CID 26596533
4-Chloro-2-(chloromethyl)thiophene
CID 57161071
2-(Dichloromethyl)thiophene
CID 582821
4,5-Dichlorothiophene-2-carbonitrile
CID 145915795
3,5-Dichloro-2-ethynylthiophene
CID 165818554
5-Chloro-3-iodo-2-methylthiophene
CID 10848839
2,5-Bis(chloromethyl)thiophene
CID 10888541

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(chloromethyl)thiophene?
The IUPAC name of 2,3-dichloro-5-(chloromethyl)thiophene (CID 15124910) is 2,3-dichloro-5-(chloromethyl)thiophene.
What is the SMILES notation for 2,3-dichloro-5-(chloromethyl)thiophene?
The canonical SMILES for 2,3-dichloro-5-(chloromethyl)thiophene is ClCc1cc(Cl)c(Cl)s1.
What is the InChIKey of 2,3-dichloro-5-(chloromethyl)thiophene?
The InChIKey is MBQVOLQRHGGHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3S/c6-2-3-1-4(7)5(8)9-3/h1H,2H2.
What are the key properties of 2,3-dichloro-5-(chloromethyl)thiophene?
2,3-dichloro-5-(chloromethyl)thiophene has a molecular weight of 201.50 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(chloromethyl)thiophene is sourced from PubChem (CID 15124910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).