2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole

C8H9NS2 — CID 18707293

IUPAC2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole
SMILESCSC1Nc2ccccc2S1
InChIInChI=1S/C8H9NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5,8-9H,1H3
InChIKeyLFQQXNDWBQWJRW-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.85
Rot. Bonds1

About 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole

2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole (PubChem CID 18707293) has the molecular formula C8H9NS2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole
PubChem CID18707293
Molecular FormulaC8H9NS2
Molecular Weight183.30 g/mol
Exact Mass183.02
IUPAC Name2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole
SMILESCSC1Nc2ccccc2S1
InChIInChI=1S/C8H9NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5,8-9H,1H3
InChIKeyLFQQXNDWBQWJRW-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole (CID 18707293) is 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole is CSC1Nc2ccccc2S1.
What is the InChIKey of 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is LFQQXNDWBQWJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5,8-9H,1H3.
What are the key properties of 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole?
2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 183.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 18707293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).