3-(4-Hydroxyphenyl)-2-thioxo-4-thiazolidinone

HCID 210591
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Basic information

CAS
21346-21-4
Standard SMILES
O=C1CSC(=S)N1c1ccc(O)cc1
InChIKey
YUUFJQSSWHKSBR-UHFFFAOYSA-N
Molecular formula
C9H7NO2S2
Average molar mass
225.3 g/mol
Monoisotopic mass
224.99182046

Names & identifiers

Preferred name
3-(4-Hydroxyphenyl)-2-thioxo-4-thiazolidinone
IUPAC
3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
English name
3-(4-hydroxyphenyl)-2-sulfanylidene-thiazolidin-4-one
Molecular formula
C9H7NO2S2
Molecular weight
225.29

Names & synonyms

21346-21-4Rhodanine, 3-(p-hydroxyphenyl)-DTXSID30175614RefChem:1066863DTXCID30981053-(4-Hydroxyphenyl)-2-thioxo-4-thiazolidinone3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one3-(p-Hydroxyphenyl)rhodanine3-(4-Hydroxy-phenyl)-2-thioxo-thiazolidin-4-oneMFCD005957724-Thiazolidinone,3-(4-hydroxyphenyl)-2-thioxo-3-(4-hydroxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Show more names
4-Thiazolidinone, 3-(4-hydroxyphenyl)-2-thioxo-3-(4-hydroxypenyl)-2-sulfanylidene-thiazolidin-4-one3-(4-hydroxyphenyl)-2-sulfanylidene-thiazolidin-4-one
3-(4-hydroxyphenyl)-2-thioxothiazolidin-4-one3-(4-hydroxyphenyl)-2-thioxo-thiazolidin-4-oneBRN 0785835Oprea1_561165Oprea1_669447CBDivE_015076MLS001209395N-(4-Hydroxyphenyl)rhodanine

Database identifiers

CAS
21346-21-4
PubChem CID
210591
DTXSID
DTXSID30175614
ChEMBL
CHEMBL462430

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
97.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Experimental & physicochemical properties

Solubility28.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers1 total

南京世洲生物科技有限公司13675144456 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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