Basic information
- CAS
21734-85-0- Standard SMILES
Cc1nsc(Cl)n1- InChIKey
ILTLLMVRPBXCSX-UHFFFAOYSA-N- Molecular formula
- C3H3ClN2S
- Average molar mass
- 134.59 g/mol
- Monoisotopic mass
- 133.970547
Names & identifiers
- Preferred name
- 5-Chloro-3-methyl-1,2,4-thiadiazole
- IUPAC
- 5-chloro-3-methyl-1,2,4-thiadiazole
- English name
- 5-Chloro-3-methyl-1,2,4-thiadiazole
- Molecular formula
- C3H3ClN2S
- Molecular weight
- 134.59
Names & synonyms
5-chloro-3-methyl-1,2,4-thiadiazole21734-85-0DTXSID30512944RefChem:302511DTXCID40463751851-633-1MFCD082348031,2,4-Thiadiazole,5-chloro-3-methyl-5-Chloro-3-methyl-[1,2,4]thiadiazoleSCHEMBL547688SCHEMBL2079340SBB054627
Show more names
5-chloro-3-methyl-1,2,4-thiazole5-Chlor-3-methyl-[1,2,4]thiadiazol2-chloro-5-methyl-1,2,4- thiodiazole1,2,4-Thiadiazole, 5-chloro-3-methyl-
AKOS009278455CS-W022352GS-4285MB05736SY027850EN300-36715F0675505-Chloro-3-methyl-1 pound not2 pound not4-thiadiazole
Database identifiers
- CAS
21734-85-0- PubChem CID
- 12919159
- DTXSID
DTXSID30512944- EC Number
- 851-633-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 70
Physicochemical properties
- Boiling point
- 51 °C · 51 °C(Press: 21 Torr)
- Density
- 1.355 g/cm3 · 1.355 g/cm3
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 0.36 · 0.36±0.10(Predicted)
- form
- liquid
- color
- Pale yellow
- InChI
- 1S/C3H3ClN2S/c1-2-5-3(4)7-6-2/h1H3
- InChIKey
- ILTLLMVRPBXCSX-UHFFFAOYSA-N
- SMILES
- ClC1=NC(C)=NS1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- Hazard Codes
- Xi
- Risk Statements
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
- wgk
- WGK 3
- hs_code
- 2934999090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P271
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers56 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
Related reactions
26 records
Compound notes
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