3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid

HCID 9813367
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Basic information

CAS
339530-91-5
Standard SMILES
CC(O)(CSc1ccc(F)cc1)C(=O)O
InChIKey
CTYJERNWLVBMTF-UHFFFAOYSA-N
Molecular formula
C10H11FO3S
Average molar mass
230.26 g/mol
Monoisotopic mass
230.04129343

Names & identifiers

Preferred name
3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid
IUPAC
3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid
English name
3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid
Molecular formula
C10H11FO3S
Molecular weight
230.26

Names & synonyms

339530-91-53-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanoic acid3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acidEC 608-927-8RefChem:92004608-927-83-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid3-(4-Fluorophenylthio)-2-hydroxy-2-methylpropanoic acidSCHEMBL3811027DTXSID704310693-(4-Fluobenzenesulfhydryl)-2-CTYJERNWLVBMTF-UHFFFAOYSA-N
Show more names
3-(4-Fluorobenzensulfydryl)-2-hydroxyl-2-methylpropionic acid（ForBicalutamide）
Propanoic acid,3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-Propanoic acid, 3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-MFCD08063949AKOS013796562AC-23361NS00001554H400752-hydroxy-2-methyl-3-(4-fluorophenylthio) propionic acid

Database identifiers

CAS
339530-91-5
PubChem CID
9813367
DTXSID
DTXSID70431069
EC Number
608-927-8

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
82.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
335 · H335-H319
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P
REACH Registrations
Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 21-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/8315
Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H335-H319
REACH Registrations
Active
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers14 total

广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京芊亿达新材料科技有限公司15384069853
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]

Related reactions

8 records
New reaction record

Compound notes

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