2-Phenoxyethane-1-thiol

HCID 237357
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Basic information

CAS
6338-63-2
Standard SMILES
SCCOc1ccccc1
InChIKey
WGZWXVFLOUVQLH-UHFFFAOYSA-N
Molecular formula
C8H10OS
Average molar mass
154.23 g/mol
Monoisotopic mass
154.04523594

Names & identifiers

Preferred name
2-Phenoxyethane-1-thiol
IUPAC
2-phenoxyethanethiol
English name
2-Phenoxyethanethiol
Molecular formula
C8H10OS
Molecular weight
154.23

Names & synonyms

2-phenoxyethane-1-thiolRefChem:477948870-858-62-Phenoxyethanethiol6338-63-2Ethanethiol, 2-phenoxy-NSC40773MFCD034270712-Phenoxyethanethiol #(2-sulfanylethoxy)benzeneSCHEMBL55954SCHEMBL55955
Show more names
SCHEMBL16861350SCHEMBL16861410DTXSID90285167WGZWXVFLOUVQLH-UHFFFAOYSA-NNSC-40773SBB077080AKOS000173173NS-01193

Database identifiers

CAS
6338-63-2
PubChem CID
237357
DTXSID
DTXSID90285167
EC Number
870-858-6
Nikkaji
J113.976B

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
10.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
10

Physicochemical properties

Boiling point
201 · 201-202 °C(lit.)
Density
1.105 g/mL · 1.105 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.5600(lit.)
Flash point
230 °F · >230 °F
pka
9.68 · 9.68±0.10(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H319-H332-H312-H315-H335
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers8 total

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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