2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate

C12H8NO3S2- — CID 18471080

IUPAC2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate
SMILESO=C([O-])COc1cccc2c1Cc1sc(=S)[nH]c1-2
InChIInChI=1S/C12H9NO3S2/c14-10(15)5-16-8-3-1-2-6-7(8)4-9-11(6)13-12(17)18-9/h1-3H,4-5H2,(H,13,17)(H,14,15)/p-1
InChIKeyICUGZMYFBZMKMR-UHFFFAOYSA-M
MW278.33 g/mol
LogP1.51
Rot. Bonds3

About 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate

2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate (PubChem CID 18471080) has the molecular formula C12H8NO3S2- and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate.

Molecular Properties

Compound Name2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate
PubChem CID18471080
Molecular FormulaC12H8NO3S2-
Molecular Weight278.33 g/mol
Exact Mass278.00
IUPAC Name2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate
SMILESO=C([O-])COc1cccc2c1Cc1sc(=S)[nH]c1-2
InChIInChI=1S/C12H9NO3S2/c14-10(15)5-16-8-3-1-2-6-7(8)4-9-11(6)13-12(17)18-9/h1-3H,4-5H2,(H,13,17)(H,14,15)/p-1
InChIKeyICUGZMYFBZMKMR-UHFFFAOYSA-M
XLogP1.51
TPSA65.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-6-yl)oxy]acetic acid
CID 18470999
2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-6-yl)oxy]ethyl acetate
CID 70271001
2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-6-yl)oxy]acetic acid
CID 18471054
tetrasodium;2-[[26,27,28-tris(carboxylatomethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetate
CID 101011682
sodium 2-(2-methylphenoxy)acetate
CID 23664336
2-[(2-sulfanylidene-4,5-dihydro-1H-benzo[e][1,3]benzothiazol-7-yl)oxy]acetic acid
CID 18471020
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
2-[[1-(2-hydroxyethyl)-2,3-dihydroindol-4-yl]oxy]acetate
CID 18351856
sodium 2-[2-(methylcarbamoyl)-3-phenylphenoxy]acetate
CID 23684825
lithium 2-(2-methylphenoxy)acetate
CID 19205696
2-[(3-bromo-4-oxo-2,3-dihydrochromen-8-yl)oxy]acetate
CID 18471049
2-[2-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 3617867

Frequently Asked Questions

What is the IUPAC name of 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate?
The IUPAC name of 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate (CID 18471080) is 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate.
What is the SMILES notation for 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate?
The canonical SMILES for 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate is O=C([O-])COc1cccc2c1Cc1sc(=S)[nH]c1-2.
What is the InChIKey of 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate?
The InChIKey is ICUGZMYFBZMKMR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9NO3S2/c14-10(15)5-16-8-3-1-2-6-7(8)4-9-11(6)13-12(17)18-9/h1-3H,4-5H2,(H,13,17)(H,14,15)/p-1.
What are the key properties of 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate?
2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate has a molecular weight of 278.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-sulfanylidene-1,4-dihydroindeno[1,2-d][1,3]thiazol-5-yl)oxy]acetate is sourced from PubChem (CID 18471080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).