2-(bromomethyl)-9H-thioxanthen-9-one

HCID 90001
NotesReactions
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Basic information

CAS
23117-71-7
Standard SMILES
O=c1c2ccccc2sc2ccc(CBr)cc12
InChIKey
UHMPEFGBZXKWTQ-UHFFFAOYSA-N
Molecular formula
C14H9BrOS
Average molar mass
305.19 g/mol
Monoisotopic mass
303.95574801

Names & identifiers

Preferred name
2-(bromomethyl)-9H-thioxanthen-9-one
IUPAC
2-(bromomethyl)thioxanthen-9-one
English name
2-(bromomethyl)-9H-thioxanthen-9-one
Molecular formula
C14H9BrOS
Molecular weight
305.19

Names & synonyms

2-(Bromomethyl)-9H-thioxanthen-9-one23117-71-7EINECS 245-435-9DTXSID00177685RefChem:84601DTXCID60100176245-435-92-(bromomethyl)thioxanthen-9-one2-bromomethylthioxanthone4QZ2TA8SHFSCHEMBL1041547MFCD30562513
Show more names
9H-Thioxanthen-9-one, 2-(bromomethyl)-NS00027356F16796

Database identifiers

CAS
23117-71-7
PubChem CID
90001
DTXSID
DTXSID00177685
UNII
4QZ2TA8SHF
EC Number
245-435-9
Nikkaji
J318.404H

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17

Physicochemical properties

Melting point
194 · 194-195 °C(Solv: acetone (67-64-1))
Boiling point
450.2 · 450.2±44.0 °C(Predicted)
Density
1.593 · 1.593±0.06 g/cm3(Predicted)
FDA UNII
4 QZ2TA8SHF · 4QZ2TA8SHF

Chemistry & industry

Upstream & downstream products

Suppliers15 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州纳什医药科技有限公司13482028355 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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