5-Methyl-1,3-benzoxazole-2(3H)-thione

HCID 710258

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Basic information

CAS: 22876-22-8
Standard SMILES: Cc1ccc2oc(=S)[nH]c2c1
InChIKey: SSWZUOXLFTXIEZ-UHFFFAOYSA-N
Molecular formula: C8H7NOS
Average molar mass: 165.21 g/mol
Monoisotopic mass: 165.02483502

Names & identifiers

Preferred name: 5-Methyl-1,3-benzoxazole-2(3H)-thione
IUPAC: 5-methyl-3H-1,3-benzoxazole-2-thione
English name: 2-Mercapto-5-methylbenzoxazole
Molecular formula: C8H7NOS
Molecular weight: 165.21

Names & synonyms

22876-22-85-methyl-1,3-benzoxazole-2(3H)-thioneDTXSID60351803RefChem:303898DTXCID50302869655-568-85-Methylbenzo[d]oxazole-2(3H)-thione2-Mercapto-5-methylbenzoxazole5-methyl-1,3-benzoxazole-2-thiol5-methyl-3H-1,3-benzoxazole-2-thione5-METHYLBENZO[D]OXAZOLE-2-THIOL5-Methyl-2,3-dihydro-1,3-benzoxazole-2-thione

Show more names

SALOR-INT L470805-1EA5-Methylbenzo[d]oxazole-2(3H)5-METHYLBENZOXAZOLINE-2-THIONE2-Mercapto-6-methylbenzoxazole2-Mercapato-6-methylbenzoxazole5-Methyl-2(3H)-benzoxazolethione5-Methylbenzoxazoline-2-thione,97%

MFCD000524925-Methylbenzoxazole-2(3H)-thione5-METHYL-BENZOOXAZOLE-2-THIOLCHEMBL48488492-BENZOXAZOLETHIOL, 5-METHYL-AKOS005173574FK-0705EN300-77013

Database identifiers

CAS: 22876-22-8
PubChem CID: 710258
DTXSID: DTXSID60351803
ChEMBL: CHEMBL4848849
EC Number: 655-568-8
Nikkaji: J654.139I

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 223 · 223-225°C
Boiling point: 260.9 · 260.9±33.0 °C(Predicted)
Density: 1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 11.26 · 11.26±0.20(Predicted)
Appearance: White to off-white Solid
Sensitive: Air Sensitive
CAS DataBase Reference: 22876 · 22876-22-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (97.7%)

Safety data

hs_code: 2934999090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Downstream products

N-(2-hydroxy-5-methylphenyl)-N'-phenylthiourea 5-methyl-N-phenyl-1,3-benzoxazol-2-amine

Suppliers44 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

Related reactions

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Compound notes

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