chlorobenzene;1,3-thiazole

C9H8ClNS — CID 70415470

IUPACchlorobenzene;1,3-thiazole
SMILESClc1ccccc1.c1cscn1
InChIInChI=1S/C6H5Cl.C3H3NS/c7-6-4-2-1-3-5-6;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyDVGSBTMPISGLFP-UHFFFAOYSA-N
MW197.69 g/mol
LogP3.48
Rot. Bonds

About chlorobenzene;1,3-thiazole

chlorobenzene;1,3-thiazole (PubChem CID 70415470) has the molecular formula C9H8ClNS and a molecular weight of 197.69 g/mol. Its IUPAC name is chlorobenzene;1,3-thiazole.

Molecular Properties

Compound Namechlorobenzene;1,3-thiazole
PubChem CID70415470
Molecular FormulaC9H8ClNS
Molecular Weight197.69 g/mol
Exact Mass197.01
IUPAC Namechlorobenzene;1,3-thiazole
SMILESClc1ccccc1.c1cscn1
InChIInChI=1S/C6H5Cl.C3H3NS/c7-6-4-2-1-3-5-6;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyDVGSBTMPISGLFP-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1,3-thiazole?
The IUPAC name of chlorobenzene;1,3-thiazole (CID 70415470) is chlorobenzene;1,3-thiazole.
What is the SMILES notation for chlorobenzene;1,3-thiazole?
The canonical SMILES for chlorobenzene;1,3-thiazole is Clc1ccccc1.c1cscn1.
What is the InChIKey of chlorobenzene;1,3-thiazole?
The InChIKey is DVGSBTMPISGLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.C3H3NS/c7-6-4-2-1-3-5-6;1-2-5-3-4-1/h1-5H;1-3H.
What are the key properties of chlorobenzene;1,3-thiazole?
chlorobenzene;1,3-thiazole has a molecular weight of 197.69 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1,3-thiazole is sourced from PubChem (CID 70415470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).