Thiophene-2-carbohydrazide
Basic information
- CAS
2361-27-5- Standard SMILES
NNC(=O)c1cccs1- InChIKey
SOGBOGBTIKMGFS-UHFFFAOYSA-N- Molecular formula
- C5H6N2OS
- Average molar mass
- 142.18 g/mol
- Monoisotopic mass
- 142.02008381
Overview
structure in first source
Names & identifiers
- Preferred name
- Thiophene-2-carbohydrazide
- IUPAC
- thiophene-2-carbohydrazide
- English name
- 2-Thiophenecarboxylic acid hydrazide
- Molecular formula
- C5H6N2OS
- Molecular weight
- 142.18
Names & synonyms
Thiophene-2-carbohydrazide2361-27-5Thiophene-2-carboxylic acid hydrazide2-Thiophenecarboxylic acid, hydrazideW4J3WEF93NNSC-653DTXSID80178271RefChem:189615DTXCID10100762219-107-02-Thiophenecarboxylic acid hydrazide2-Thenoylhydrazine
Show more names
THENOIC HYDRAZIDEAKOS BBS-00004097LABOTEST-BB LT00772322hiophene-2-carbohydrazide2-Thiophenecarbonyl hydrazideThiophene-2-carbohydrazide 98%
2-ThiophenecarbohydrazideThiophene-2-carboxylic hydrazide2-Thiophenecarboxylic hydrazideMFCD000054352-Thiophenecarbohydrazonic acid2-Thiophenecarboxylicacidhydrazide2-Thienylcarboxylic acid hydrazide2-Thenoic hydrazide
Database identifiers
- CAS
2361-27-5- PubChem CID
- 73098
- DTXSID
DTXSID80178271- ChEMBL
CHEMBL3091844- UNII
- W4J3WEF93N
- EC Number
- 219-107-0
- Nikkaji
- J170H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 136 · 136-139 °C(lit.)
- Density
- 1.291 · 1.291 (estimate)
- refractive index
- 1.643 · 1.6430 (estimate)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
- Crystalline Powder
- pka
- 12.43 · 12.43±0.10(Predicted)
- color
- Slightly yellow to beige
- BRN
- 114437 · 114437
- InChI
- 1S/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
- InChIKey
- SOGBOGBTIKMGFS-UHFFFAOYSA-N
- SMILES
- NNC(=O)c1cccs1
- CAS DataBase Reference
- 2361 · 2361-27-5(CAS DataBase Reference)
- FDA UNII
- 4 J3WEF93N · W4J3WEF93N
- NIST Chemistry Reference
- 2 · 2-Thiophenecarboxylic acid, hydrazide(2361-27-5)
- Comptox DTXSID
- 80178271 · DTXSID80178271
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
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (98%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Thiophenecarboxylic acid hydrazide features a planar molecular structure with cis-oriented torsion angles of less than 10° and serves as a ligand for transition metal complexes involving manganese, cobalt, nickel, copper, zinc, cadmium, palladium, and ruthenium[1]. The compound reacts with isatin in ethanol under reflux to synthesize 2-thiophenecarbonylhydrazone-3-isatin[2].
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
28 records
Compound notes
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