2-Ethylamino-1,3,4-thiadiazole
Basic information
- CAS
13275-68-8- Standard SMILES
NCCc1nncs1- InChIKey
QXIKYRCHORWLLW-UHFFFAOYSA-N- Molecular formula
- C4H7N3S
- Average molar mass
- 129.19 g/mol
- Monoisotopic mass
- 129.03606841
Names & identifiers
- Preferred name
- 2-Ethylamino-1,3,4-thiadiazole
- IUPAC
- 2-(1,3,4-thiadiazol-2-yl)ethanamine
- English name
- 2-(Ethylamino)-1,3,4-thiadiazole
- Molecular formula
- C4H7N3S
- Molecular weight
- 129.18
Names & synonyms
RefChem:9098092-Ethylamino-1,3,4-thiadiazole1,3,4-THIADIAZOLE-2-ETHYLAMINE1097305-12-82-(1,3,4-THIADIAZOL-2-YL)ETHAN-1-AMINE2-(1,3,4-thiadiazol-2-yl)ethanamineBRN 0110762AI3-524661,3,4-THIADIAZOLE, 2-ETHYLAMINO-SCHEMBL8628811SCHEMBL9601983SCHEMBL9601985
Show more names
x197nsc4730cl192174090l7-55252-ethylaminothiadiazole4-thiadiazole,2-ethylamino-34-thiadiazol-2-amine,n-ethyl-3N-ETHYL-1,3,4-THIADIAZOL-2-AMINE2-(Ethylamino)-1,3,4-thiadiazole1,3,4-Thiadiazol-2-amine, N-ethyl-2-(Ethylamino)-1,3,4-thiadiazole,95%
AKOS013476603PB27207CS-0057216P12515EN300-1663623
Database identifiers
- CAS
13275-68-8- PubChem CID
- 25824
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.3
Physicochemical properties
- Melting point
- 71.5 °C · 71.5°C
- Boiling point
- 205.2 · 205.2±23.0 °C(Predicted)
- Density
- 1.22 · 1.220 (estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- form
- solid
- pka
- 2.68 · 2.68±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3,4-Thiadiazol-2-amine, N-ethyl- (13275-68-8)
- TSCA
- TSCA listed
- HS Code
- 2934999090 · 2934999090
- Toxicity
- 50 · mouse,LD50,intraperitoneal,795mg/kg (795mg/kg),National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2934999090
- Toxicity
- mouse,LD50,intraperitoneal,795mg/kg (795mg/kg),National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
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Compound notes
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