5-chloro-1,2-benzothiazole

C7H4ClNS — CID 19387306

IUPAC5-chloro-1,2-benzothiazole
SMILESClc1ccc2sncc2c1
InChIInChI=1S/C7H4ClNS/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H
InChIKeyKDBXNTXKUGUISU-UHFFFAOYSA-N
MW169.64 g/mol
LogP2.95
Rot. Bonds

About 5-chloro-1,2-benzothiazole

5-chloro-1,2-benzothiazole (PubChem CID 19387306) has the molecular formula C7H4ClNS and a molecular weight of 169.64 g/mol. Its IUPAC name is 5-chloro-1,2-benzothiazole.

Molecular Properties

Compound Name5-chloro-1,2-benzothiazole
PubChem CID19387306
Molecular FormulaC7H4ClNS
Molecular Weight169.64 g/mol
Exact Mass168.98
IUPAC Name5-chloro-1,2-benzothiazole
SMILESClc1ccc2sncc2c1
InChIInChI=1S/C7H4ClNS/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H
InChIKeyKDBXNTXKUGUISU-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.64
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-benzothiazole?
The IUPAC name of 5-chloro-1,2-benzothiazole (CID 19387306) is 5-chloro-1,2-benzothiazole.
What is the SMILES notation for 5-chloro-1,2-benzothiazole?
The canonical SMILES for 5-chloro-1,2-benzothiazole is Clc1ccc2sncc2c1.
What is the InChIKey of 5-chloro-1,2-benzothiazole?
The InChIKey is KDBXNTXKUGUISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNS/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H.
What are the key properties of 5-chloro-1,2-benzothiazole?
5-chloro-1,2-benzothiazole has a molecular weight of 169.64 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-benzothiazole is sourced from PubChem (CID 19387306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).