2-propyl-1,2-benzothiazol-3-one

C10H11NOS — CID 640879

IUPAC2-propyl-1,2-benzothiazol-3-one
SMILESCCCn1sc2ccccc2c1=O
InChIInChI=1S/C10H11NOS/c1-2-7-11-10(12)8-5-3-4-6-9(8)13-11/h3-6H,2,7H2,1H3
InChIKeyCIZCWSJDCWBINO-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.47
Rot. Bonds2

About 2-propyl-1,2-benzothiazol-3-one

2-propyl-1,2-benzothiazol-3-one (PubChem CID 640879) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-propyl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-propyl-1,2-benzothiazol-3-one
PubChem CID640879
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-propyl-1,2-benzothiazol-3-one
SMILESCCCn1sc2ccccc2c1=O
InChIInChI=1S/C10H11NOS/c1-2-7-11-10(12)8-5-3-4-6-9(8)13-11/h3-6H,2,7H2,1H3
InChIKeyCIZCWSJDCWBINO-UHFFFAOYSA-N
XLogP2.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,2-benzothiazol-3-one?
The IUPAC name of 2-propyl-1,2-benzothiazol-3-one (CID 640879) is 2-propyl-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-propyl-1,2-benzothiazol-3-one?
The canonical SMILES for 2-propyl-1,2-benzothiazol-3-one is CCCn1sc2ccccc2c1=O.
What is the InChIKey of 2-propyl-1,2-benzothiazol-3-one?
The InChIKey is CIZCWSJDCWBINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-7-11-10(12)8-5-3-4-6-9(8)13-11/h3-6H,2,7H2,1H3.
What are the key properties of 2-propyl-1,2-benzothiazol-3-one?
2-propyl-1,2-benzothiazol-3-one has a molecular weight of 193.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,2-benzothiazol-3-one is sourced from PubChem (CID 640879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).