4-Methyl-1,2,3-thiadiazole
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Basic information
- CAS
18212-62-9- Standard SMILES
Cc1csnn1- InChIKey
OFFFOVCCGHKJES-UHFFFAOYSA-N- Molecular formula
- C3H4N2S
- Average molar mass
- 100.14 g/mol
- Monoisotopic mass
- 100.00951913
Names & identifiers
- Preferred name
- 4-Methyl-1,2,3-thiadiazole
- IUPAC
- 4-methylthiadiazole
- English name
- 4-Methyl-1,2,3-thiadiazole
- Molecular formula
- C3H4N2S
- Molecular weight
- 100.14
Names & synonyms
4-methyl-1,2,3-thiadiazole18212-62-9DTXSID50326702RefChem:294048DTXCID40277815855-792-84-methylthiadiazoleMFCD064115341,2,3-Thiadiazole, 4-methyl-methylthiadiazoleNSC610455SCHEMBL156583
Show more names
SCHEMBL206141SCHEMBL213293AKOS006283489NSC-610455CS-10903DB-011013EN300-126995G19233
Database identifiers
- CAS
18212-62-9- PubChem CID
- 355841
- DTXSID
DTXSID50326702- EC Number
- 855-792-8
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 48.1
Physicochemical properties
- Boiling point
- 138.5 · 138.5±33.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- form
- liquid
- pka
- -2.68 · -2.68±0.22(Predicted)
- color
- Clear
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P280
- 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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P261-P280
Suppliers
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Related reactions
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Compound notes
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