Basic information
- CAS
13431-34-0- Standard SMILES
CCNC(=S)NN- InChIKey
SKYYTGUCWARUCL-UHFFFAOYSA-N- Molecular formula
- C3H9N3S
- Average molar mass
- 119.19 g/mol
- Monoisotopic mass
- 119.05171829
Names & identifiers
- Preferred name
- 4-Ethyl-3-thiosemicarbazide
- IUPAC
- 1-amino-3-ethylthiourea
- English name
- 4-ETHYL-3-THIOSEMICARBAZIDE
- Molecular formula
- C3H9N3S
- Molecular weight
- 119.19
Names & synonyms
4-Ethyl-3-thiosemicarbazideHydrazinecarbothioamide, N-ethyl-EthylthiosemicarbazideEINECS 236-553-1NSC 84217Thiosemicarbazide, 4-ethyl-DTXSID3065451RefChem:98874DTXCID7034202236-553-1SKYYTGUCWARUCL-UHFFFAOYSA-N13431-34-0
Show more names
3-amino-1-ethylthiourea3-amino-1-ethyl-thioureaN-ethylthiosemicarbaziden-ethyl-hydrazinecarbothioamid
N-Ethylhydrazinecarbothioamide1-amino-3-ethylthiourea4-EthylthiosemicarbazideSemicarbazide, 4-ethyl-3-thio-MFCD00007618B 11314-ethyl-thiosemicarbazide(ethylamino)hydrazinomethane-1-thione
Database identifiers
- CAS
13431-34-0- PubChem CID
- 1551780
- DTXSID
DTXSID3065451- EC Number
- 236-553-1
- Nikkaji
- J124.116H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 63.2
Physicochemical properties
- Melting point
- 82 · 82-84 °C (lit.)
- Boiling point
- 187.4 · 187.4±23.0 °C(Predicted)
- Density
- 1.109 · 1.109 (estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 10.91 · 10.91±0.70(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C3H9N3S/c1-2-5-3(7)6-4/h2,4H2,1H3,(H2,5,6,7)
- InChIKey
- SKYYTGUCWARUCL-UHFFFAOYSA-N
- SMILES
- CCNC(=S)NN
- EPA Substance Registry System
- Hydrazinecarbothioamide, N-ethyl- (13431-34-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- 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
Uses & manufacturing
General Manufacturing InformationHydrazinecarbothioamide, N-ethyl-: INACTIVE
Applications
Uses4-Ethyl-3-thiosemicarbazide is useful in the synthesis of saccharin which exhibits strong cytotoxic activity against the MCF-7 and MDA-MB-231 human breast cancer cell lines.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers30 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
Related reactions
21 records
Compound notes
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