3-chlorothiophene;formaldehyde

C5H5ClOS — CID 155011184

IUPAC3-chlorothiophene;formaldehyde
SMILESC=O.Clc1ccsc1
InChIInChI=1S/C4H3ClS.CH2O/c5-4-1-2-6-3-4;1-2/h1-3H;1H2
InChIKeyXZHFCRVYIPXTAG-UHFFFAOYSA-N
MW148.61 g/mol
LogP2.22
Rot. Bonds

About 3-chlorothiophene;formaldehyde

3-chlorothiophene;formaldehyde (PubChem CID 155011184) has the molecular formula C5H5ClOS and a molecular weight of 148.61 g/mol. Its IUPAC name is 3-chlorothiophene;formaldehyde.

Molecular Properties

Compound Name3-chlorothiophene;formaldehyde
PubChem CID155011184
Molecular FormulaC5H5ClOS
Molecular Weight148.61 g/mol
Exact Mass147.97
IUPAC Name3-chlorothiophene;formaldehyde
SMILESC=O.Clc1ccsc1
InChIInChI=1S/C4H3ClS.CH2O/c5-4-1-2-6-3-4;1-2/h1-3H;1H2
InChIKeyXZHFCRVYIPXTAG-UHFFFAOYSA-N
XLogP2.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chlorothiophene;formaldehyde?
The IUPAC name of 3-chlorothiophene;formaldehyde (CID 155011184) is 3-chlorothiophene;formaldehyde.
What is the SMILES notation for 3-chlorothiophene;formaldehyde?
The canonical SMILES for 3-chlorothiophene;formaldehyde is C=O.Clc1ccsc1.
What is the InChIKey of 3-chlorothiophene;formaldehyde?
The InChIKey is XZHFCRVYIPXTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClS.CH2O/c5-4-1-2-6-3-4;1-2/h1-3H;1H2.
What are the key properties of 3-chlorothiophene;formaldehyde?
3-chlorothiophene;formaldehyde has a molecular weight of 148.61 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorothiophene;formaldehyde is sourced from PubChem (CID 155011184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).