Basic information
- CAS
26377-76-4- Standard SMILES
NC(=[NH2+])Sc1c[nH]c2ccccc12.[I-]- InChIKey
LQKOQCZXEQTTIW-UHFFFAOYSA-N- Molecular formula
- C9H10IN3S
- Average molar mass
- 319.17 g/mol
- Monoisotopic mass
- 318.96402
Overview
See also: 2-1H-Indol-3-ylisothiourea, monohydroiodide (preferred).
Names & identifiers
- Preferred name
- 2-(1H-Indol-3-yl)isothiouronium iodide
- IUPAC
- [amino(1H-indol-3-ylsulfanyl)methylidene]azanium iodide
- English name
- 2-1H-indol-3-ylisothiourea, monohydroiodide
- Molecular formula
- C9H10IN3S
- Molecular weight
- 319.17
Names & synonyms
2-(1H-Indol-3-yl)isothiouronium iodideindole-3-thiouronium iodideSCHEMBL11713367s-(3-indolyl)isothiuronium iodideAKOS024344808S-(3-indolyl)isothiouronium iodide2-(1H-Indol-3-yl)-isothiourea hydroiodide(1H-indol-3-ylthio)formamidine hydroiodide2-1H-indol-3-ylisothiourea, monohydroiodide1H-indol-3-ylsulfanylformamidine hydroiodide2-Indol-3-yl-2-thio-pseudourea Monohydriodide(1H-Indol-3-ylsulfanyl)methanimidamide hydroiodide
Show more names
[amino-(1H-indol-3-ylthio)methylene]ammonium iodideCarbaMiMidothioic Acid 1H-Indol-3-yl Ester Hydriodide
Database identifiers
- CAS
26377-76-4- PubChem CID
- 2828906
Properties
Computed structural properties
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 214 · 214-216°C dec.
- solubility
- soluble in DMSO
- form
- Solid
- color
- Brownish Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26
- 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
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesAn precursor for 3-Mercaptoindole
Suppliers9 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
武汉格莱菲医药科技有限公司18995639250 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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