Basic information
- CAS
151-16-6- Standard SMILES
N=C(N)SCCN- InChIKey
NWPCXGGYSQHQGM-UHFFFAOYSA-N- Molecular formula
- C3H9N3S
- Average molar mass
- 119.19 g/mol
- Monoisotopic mass
- 119.05171847
Overview
A radiation-protective agent that can inhibit DNA damage by binding to the DNA. It also increases the susceptibility of blood cells to complement-mediated lysis.
Names & identifiers
- Preferred name
- (2-Aminoethyl)isothiourea
- IUPAC
- 2-aminoethyl carbamimidothioate
- English name
- beta-Aminoethyl Isothiourea
- Molecular formula
- C3H9N3S
- Molecular weight
- 119.19
Names & synonyms
151-16-6S-(2-Aminoethyl)isothiourea(2-Aminoethyl)isothioureaCarbamimidothioic acid, 2-aminoethyl esterbeta-Aminoethyl isothioureaRefChem:119197beta Aminoethyl IsothioureaIsothiourea, beta-AminoethylIsothiourea, (2-Aminoethyl)2 Aminoethylisothiuronium Bromide2-Aminoethylisothiuronium BromideBromide, 2-Aminoethylisothiuronium
Show more names
2-Aminoethylisothiouronium2-(2-Aminoethyl)isothiourea2-(Aminoethyl)-2-thiopseudourea(2-Aminoethyl)thiomethanamidine2-Aminoethyl carbamimidothioateCarbamimidothioic acid 2-aminoethyl esterCarbamimidothioic acid S-(2-aminoethyl) ester[(2-AMINOETHYL)SULFANYL]METHANIMIDAMIDE(WXG02627)
2 Aminoethylisothiuronium Diacetate2-Aminoethylisothiuronium Diacetatebeta Aminoethylisothiuronium BromideDiacetate, 2-Aminoethylisothiuroniumbeta Aminoethylisothiuronium DiacetateBromide, beta-Aminoethylisothiuronium2 Aminoethylisothiuronium Dihydroiodide2 Aminoethylisothiuronium Diperchlorate
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 63.2
Physicochemical properties
- Melting point
- 192 · 192-194 °C
- Boiling point
- 231.1 · 231.1±42.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 8.79 · 8.79±0.40(Predicted)
- FDA UNII
- 2 GIH68G0MX · 2GIH68G0MX
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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