Basic information
- CAS
247109-15-5- Standard SMILES
COc1cccc(-c2nnc(N)s2)c1- InChIKey
ANOZGAXEWJZHBU-UHFFFAOYSA-N- Molecular formula
- C9H9N3OS
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.04663309
Names & identifiers
- Preferred name
- 5-(3-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
- English name
- 5-(3-Methoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine
- Molecular formula
- C9H9N3OS
- Molecular weight
- 207.25
Names & synonyms
5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine247109-15-5DTXSID40356114RefChem:299701DTXCID10307173962-092-7MFCD006286502-AMINO-5-(3-METHOXYPHENYL)-1,3,4-THIADIAZOLE1,3,4-Thiadiazol-2-amine, 5-(3-methoxyphenyl)-Oprea1_061951Oprea1_170086SCHEMBL6154686
Show more names
1,3,4-Thiadiazol-2-amine,5-(3-methoxyphenyl)-5-(3-Methoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine
5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-ylamine5-(3-methoxyphenyl)-1,3,4-thiadiazole-2-ylamineANOZGAXEWJZHBU-UHFFFAOYSA-NXJA10915SBB073185STK009154AKOS000225070DS-9885
Database identifiers
- CAS
247109-15-5- PubChem CID
- 819785
- DTXSID
DTXSID40356114- EC Number
- 962-092-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 404.1 · 404.1±47.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 2.69 · 2.69±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
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
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers32 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
Aladdin Scientific[email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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