2-((2-Aminoethyl)thio)ethanol

HCID 90457

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Basic information

CAS: 24304-84-5
Standard SMILES: NCCSCCO
InChIKey: ZRZOERYTFAWUQQ-UHFFFAOYSA-N
Molecular formula: C4H11NOS
Average molar mass: 121.2 g/mol
Monoisotopic mass: 121.05613515

Names & identifiers

Preferred name: 2-((2-Aminoethyl)thio)ethanol
IUPAC: 2-(2-aminoethylsulfanyl)ethanol
English name: 2-[(2-AMINOETHYL)THIO]ETHAN-1-OL
Molecular formula: C4H11NOS
Molecular weight: 121.2

Names & synonyms

24304-84-52-((2-Aminoethyl)thio)ethanol2-[(2-Aminoethyl)thio]ethanolEINECS 246-142-9DTXSID50179038NSC 333199RefChem:83657DTXCID80101529246-142-92-[(2-Aminoethyl)thio]ethan-1-ol2-(2-aminoethylsulfanyl)ethanol2-[(2-aminoethyl)sulfanyl]ethan-1-ol

Show more names

5-Amino-3-thiapentane-1-ol2-Amino-2-hydroxydiethylsulfit2-AMINO-2-HYDROXYDIETHYLSULFIDE2-amino-2-hydroxydiethylsulphite2-[(2-AMinoethyl)thio]ethanol (1-S)2-Aminoethyl-2-hydroxyethyl sulfide

2-((2-AMINOETHYL)THIO)ETHAN-1-OL2-(2-aminoethylthio)ethanol2-[(2-aminoethyl)sulfanyl]ethanolMFCD001541352-(2-amino-ethylsulfanyl)-ethanolEthanol, 2-[(2-aminoethyl)thio]-NSC-3331992-(2-aminoethylthio)ethan-1-ol

Database identifiers

CAS: 24304-84-5
PubChem CID: 90457
DTXSID: DTXSID50179038
UNII: 7FYX45D88J
EC Number: 246-142-9
Nikkaji: J88.248H

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 34

Physicochemical properties

Melting point: 3 °C · 3°C
Boiling point: 221 °C · 221°C
Density: 1.104 · 1.104±0.06 g/cm3(Predicted)
pka: 1 · pK1: 9.27(+1) (25°C)
form: liquid
color: Yellow to light brown
Specific Gravity: 1.12 · 1.12
CAS DataBase Reference: 24304 · 24304-84-5
FDA UNII: 7 FYX45D88J · 7FYX45D88J
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 310 · P310-P260-P280
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · 2735
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.