Basic information
- CAS
487-16-1- Standard SMILES
NC(=S)N=Nc1c(O)[nH]c2ccccc12- InChIKey
SLEMRAMJSGBARH-UHFFFAOYSA-N- Molecular formula
- C9H8N4OS
- Average molar mass
- 220.25 g/mol
- Monoisotopic mass
- 220.04188206
Overview
See also: Isatin thiosemicarbazone (annotation moved to).
Names & identifiers
- Preferred name
- Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
- IUPAC
- (2-hydroxy-1H-indol-3-yl)iminothiourea
- English name
- 2,3-Indoledione 3-thiosemicarbazone
- Molecular formula
- C9H8N4OS
- Molecular weight
- 220.25
Names & synonyms
487-16-127830-79-1Isatin-beta-thiosemicarbazone2-(2-oxo-1,2-dihydro-3H-indol-3-yliden)-1-hydrazinecarbothioamide2-(2-Oxoindolin-3-ylidene)hydrazinecarbothioamide(Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbothioamide[(2-oxoindol-3-yl)amino]thiourea1H-indole-2,3-dione 3-thiosemicarbazoneHydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-2,3-Indoledione 3-thiosemicarbazoneIsatin 3-thiosemicarbazoneMFCD00043581
Show more names
AURORA 909BUTTPARK 58\40-84TIMTEC-BB SBB007856OTAVA-BB BB5110070007IsatinethiosemicarbazoneISATIN THIOSEMICARBAZONEISATIN BETA-THIOSEMICARBAZONE3-Thiosemicarbazonoindoline-2-one3-Thiosemicarbazono-1H-indole-2-one
(2-hydroxy-1H-indol-3-yl)iminothioureaNSC 721(3Z)-1H-indole-2,3-dione 3-thiosemicarbazoneGS 1752MLS000595029CHEMBL333137SMR000184416{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 252 · 252-254°C
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 7.46 · 7.46±0.20(Predicted)
- EPA Substance Registry System
- 2 · Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)- (487-16-1)
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers5 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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