2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole

C9H11NS2 — CID 154152410

IUPAC2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole
SMILESCCC1Nc2ccccc2S1=S
InChIInChI=1S/C9H11NS2/c1-2-9-10-7-5-3-4-6-8(7)12(9)11/h3-6,9-10H,2H2,1H3
InChIKeyAJZZESIRULAKRW-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.29
Rot. Bonds1

About 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole

2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole (PubChem CID 154152410) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole
PubChem CID154152410
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Name2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole
SMILESCCC1Nc2ccccc2S1=S
InChIInChI=1S/C9H11NS2/c1-2-9-10-7-5-3-4-6-8(7)12(9)11/h3-6,9-10H,2H2,1H3
InChIKeyAJZZESIRULAKRW-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole (CID 154152410) is 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole is CCC1Nc2ccccc2S1=S.
What is the InChIKey of 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole?
The InChIKey is AJZZESIRULAKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-2-9-10-7-5-3-4-6-8(7)12(9)11/h3-6,9-10H,2H2,1H3.
What are the key properties of 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole?
2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole has a molecular weight of 197.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-sulfanylidene-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 154152410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).