5-Isopropyl-1,3,4-thiadiazol-2-amine

HCID 147151

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Basic information

CAS: 27115-74-8
Standard SMILES: CC(C)c1nnc(N)s1
InChIKey: IGBPZWZBEPBBTR-UHFFFAOYSA-N
Molecular formula: C5H9N3S
Average molar mass: 143.21 g/mol
Monoisotopic mass: 143.05171829

Names & identifiers

Preferred name: 5-Isopropyl-1,3,4-thiadiazol-2-amine
IUPAC: 5-propan-2-yl-1,3,4-thiadiazol-2-amine
English name: 5-isopropyl-1,3,4-thiadiazol-2-amine
Molecular formula: C5H9N3S
Molecular weight: 143.21

Names & synonyms

27115-74-85-Isopropyl-1,3,4-thiadiazol-2-amine2-Amino-5-isopropyl-1,3,4-thiadiazole1,3,4-Thiadiazol-2-amine, 5-(1-methylethyl)-DTXSID6018158162E7C6B73WEINECS 248-232-3(5-Isopropyl-[1,3,4]thiadiazol-2-yl)amine(5-ISOPROPYL-(1,3,4)THIADIAZOL-2-YL)AMINERefChem:536472DTXCID00104072248-232-3

Show more names

5-(1-Methylethyl)-1,3,4-thiadiazol-2-amine5-isopropyl-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)

5-Isopropyl-[1,3,4]thiadiazol-2-ylamineMFCD004663885-propan-2-yl-1,3,4-thiadiazol-2-amine5-Isopropyl-1,3,4-thiadiazol-2-ylamine5-(propan-2-yl)-1,3,4-thiadiazol-2-amineSCHEMBL293613STK324859AKOS000100037

Database identifiers

CAS: 27115-74-8
PubChem CID: 147151
DTXSID: DTXSID60181581
UNII: 62E7C6B73W
EC Number: 248-232-3
Nikkaji: J308.449C

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 80 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 96.2

Physicochemical properties

Melting point: 186 · 186-187 °C(Solv: water (7732-18-5))
Boiling point: 267.7 · 267.7±23.0 °C(Predicted)
Density: 1.216 · 1.216±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.73 · 3.73±0.10(Predicted)
Appearance: White to off-white Solid
FDA UNII: 62 E7C6B73W · 62E7C6B73W
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

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, 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 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.