CAS 15884-86-3 5-(Methoxymethyl)-1,3,4-thiadiazol-2-amine (HCID 660844)

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Basic information

CAS: 15884-86-3
Standard SMILES: COCc1nnc(N)s1
InChIKey: ZLDOCTTXAVVDHG-UHFFFAOYSA-N
Molecular formula: C4H7N3OS
Average molar mass: 145.19 g/mol
Monoisotopic mass: 145.03098284

Names & identifiers

Preferred name: 5-(Methoxymethyl)-1,3,4-thiadiazol-2-amine
IUPAC: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
English name: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)
Molecular formula: C4H7N3OS
Molecular weight: 145.18

Names & synonyms

5-(methoxymethyl)-1,3,4-thiadiazol-2-amine15884-86-3DTXSID80349782RefChem:300543DTXCID20300852829-560-11,3,4-Thiadiazol-2-amine, 5-(methoxymethyl)-MFCD01203002Oprea1_094729Oprea1_573295MLS0000385095-Methoxymethyl-[1,3,4]thiadiazol-2-ylamine

Show more names

2-Amino-5-(methoxymethyl)-1,3,4-thiadiazole1,3,4-Thiadiazol-2-amine, 5-(methoxymethyl)- CAS NO:15884-86-3

5-(methoxymethyl)-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)5-(methoxymethyl)-1,3,4-thiadiazole-2-ylamineUVSSCHEMBL2201689CHEMBL1430496HMS2181H10ALBB-009378SBB007576

Database identifiers

CAS: 15884-86-3
PubChem CID: 660844
DTXSID: DTXSID80349782
ChEMBL: CHEMBL1430496
EC Number: 829-560-1

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 89.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 91.9

Physicochemical properties

Boiling point: 279.1 · 279.1±42.0 °C(Predicted)
Density: 1.359 · 1.359±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 2.9 · 2.90±0.10(Predicted)
form: solid
color: Light yellow
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Warning
Hazard statements: 301 · H301+H311+H331-H314
Precautionary statements: 264 b-P270-P271-P280-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P405-P501c · P264b-P270-P271-P280-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P405-P501c
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H332 (33.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P273, 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code: 2930909899
Signal word: Warning
Symbol(GHS): GHS05,GHS06
Hazard statements: H301+H311+H331-H314
Precautionary statements: P264b-P270-P271-P280-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P405-P501c