1-Amino-4-(phenylthio)anthraquinone

HCID 83523
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
13483-52-8
Standard SMILES
Nc1ccc(Sc2ccccc2)c2c1C(=O)c1ccccc1C2=O
InChIKey
LTOKWJHRFGVTLE-UHFFFAOYSA-N
Molecular formula
C20H13NO2S
Average molar mass
331.4 g/mol
Monoisotopic mass
331.06669966

Names & identifiers

Preferred name
1-Amino-4-(phenylthio)anthraquinone
IUPAC
1-amino-4-phenylsulfanylanthracene-9,10-dione
English name
1-amino-4-(phenylthio)anthraquinone
Molecular formula
C20H13NO2S
Molecular weight
331.39

Names & synonyms

1-Amino-4-(phenylthio)anthraquinone9,10-Anthracenedione, 1-amino-4-(phenylthio)-UWM4332F9CDTXSID60655071-Amino-4-(phenylthio)-9,10-anthracenedioneRefChem:74878DTXCID1034266236-792-113483-52-8EINECS 236-792-11-amino-4-phenylsulfanylanthracene-9,10-dioneUNII-UWM4332F9C
Show more names
1-amino-4-phenylthio-9,10-anthraquinone
SCHEMBL98465501-amino-4-phenylmercaptoanthraquinoneNS000243601-AMINO-4-(PHENYLSULFANYL)ANTHRACENE-9,10-DIONE

Database identifiers

CAS
13483-52-8
PubChem CID
83523
DTXSID
DTXSID6065507
UNII
UWM4332F9C
EC Number
236-792-1
Nikkaji
J241.136I

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
85.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
24

Physicochemical properties

Melting point
201 °C · 201 °C
Boiling point
587.3 · 587.3±50.0 °C(Predicted)
Density
1.41 · 1.41±0.1 g/cm3(Predicted)
pka
-0.94 · -0.94±0.20(Predicted)
FDA UNII
4332 F9C · UWM4332F9C
EPA Substance Registry System
9 · 9,10-Anthracenedione, 1-amino-4-(phenylthio)- (13483-52-8)

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9,10-Anthracenedione, 1-amino-4-(phenylthio)-: INACTIVE

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…