3-chloro-2,5-dihydrothiophene

C4H5ClS — CID 118481607

IUPAC3-chloro-2,5-dihydrothiophene
SMILESClC1=CCSC1
InChIInChI=1S/C4H5ClS/c5-4-1-2-6-3-4/h1H,2-3H2
InChIKeySNOYHRBNZIRDAI-UHFFFAOYSA-N
MW120.60 g/mol
LogP1.86
Rot. Bonds

About 3-chloro-2,5-dihydrothiophene

3-chloro-2,5-dihydrothiophene (PubChem CID 118481607) has the molecular formula C4H5ClS and a molecular weight of 120.60 g/mol. Its IUPAC name is 3-chloro-2,5-dihydrothiophene.

Molecular Properties

Compound Name3-chloro-2,5-dihydrothiophene
PubChem CID118481607
Molecular FormulaC4H5ClS
Molecular Weight120.60 g/mol
Exact Mass119.98
IUPAC Name3-chloro-2,5-dihydrothiophene
SMILESClC1=CCSC1
InChIInChI=1S/C4H5ClS/c5-4-1-2-6-3-4/h1H,2-3H2
InChIKeySNOYHRBNZIRDAI-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dichloro-2,5-dihydrothiophene
CID 25021520
2-Chloro-3-(prop-1-en-3-ylsulfanyl)prop-1-ene
CID 129746284
2-Chloro-1-methylsulfanylbut-2-ene
CID 54391100
3-chloro-1-methyl-2H-thiophene
CID 88860557
2,3-Dichloro-2,5-dihydrothiophene
CID 141096754
2,4-Dichloro-2,5-dihydrothiophene
CID 142795797
2-Chloro-2,5-dihydrothiophene
CID 173053386
(Z)-2-chloro-1-methylsulfanylbut-2-ene
CID 173253349
(Z)-3-chloro-1-ethylsulfanylbut-2-ene
CID 173517958
(E)-3-chloro-1-ethylsulfanylbut-2-ene
CID 173517959
3-Chloro-1,1-dioxido-2,5-dihydrothiophene
CID 53406747
4-chloro-2H-thiophene-5-thione
CID 86201711

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dihydrothiophene?
The IUPAC name of 3-chloro-2,5-dihydrothiophene (CID 118481607) is 3-chloro-2,5-dihydrothiophene.
What is the SMILES notation for 3-chloro-2,5-dihydrothiophene?
The canonical SMILES for 3-chloro-2,5-dihydrothiophene is ClC1=CCSC1.
What is the InChIKey of 3-chloro-2,5-dihydrothiophene?
The InChIKey is SNOYHRBNZIRDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClS/c5-4-1-2-6-3-4/h1H,2-3H2.
What are the key properties of 3-chloro-2,5-dihydrothiophene?
3-chloro-2,5-dihydrothiophene has a molecular weight of 120.60 g/mol, XLogP of 1.86, 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-dihydrothiophene is sourced from PubChem (CID 118481607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).