2,2'-Thiobis(ethanamine)

HCID 70096

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 871-76-1
Standard SMILES: NCCSCCN
InChIKey: JONTXEXBTWSUKE-UHFFFAOYSA-N
Molecular formula: C4H12N2S
Average molar mass: 120.22 g/mol
Monoisotopic mass: 120.07211956

Names & identifiers

Preferred name: 2,2'-Thiobis(ethanamine)
IUPAC: 2-(2-aminoethylsulfanyl)ethanamine
English name: 2,2'-Thiobisethylamine
Molecular formula: C4H12N2S
Molecular weight: 120.22

Names & synonyms

871-76-1LanthionamineEthanamine, 2,2'-thiobis-3-ThiacadaverineYM62E59XQ7NSC-203144DTXSID6061232RefChem:7984982,2'-Thiobis(ethanamine)DTXCID4048565212-810-32,2'-Thiobis(ethylamine)

Show more names

EthylthioamineThiobisethylamineAminoethyl sulfideRARECHEM AL BW 13962-AMINOETHYL SULFIDE2,2'-ThiobisethylamiRanitidine Impurity 9Thiobisethylamine, 96%

2,2'-thiodiethanamine2,2-Thiobis(ethylamine)2,2'-Thiobisethylamine2-(2-aminoethylsulfanyl)ethanamineBis(2-aminoethyl) sulfide1,7-Diaza-4-thiaheptaneMFCD00039783Monoethanolamine sulfide

Database identifiers

CAS: 871-76-1
PubChem CID: 70096
DTXSID: DTXSID6061232
UNII: YM62E59XQ7
EC Number: 212-810-3
Nikkaji: J32.946K

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 77.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 28

Physicochemical properties

Melting point: 0.5 · 0.5-1.5 °C
Boiling point: 242 °C · 242°C
Density: 1.037 · 1.037
refractive index: 1.528 to · 1.5280 to 1.5310
Flash point: 100 °C · 100°C
storage temp.: 2 · 2-8°C, stored under nitrogen
Water Solubility: Completely miscible in water
form: clear liquid
pka: 1 · pK1:8.84(+2);pK2:9.64(+1) (30°C)
color: Colorless to Light yellow to Light orange
CAS DataBase Reference: 871 · 871-76-1(CAS DataBase Reference)
FDA UNII: 62 E59XQ7 · YM62E59XQ7
EPA Substance Registry System: 2 · Ethanamine, 2,2'-thiobis- (871-76-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · 2735
TSCA: TSCA listed
HS Code: 2930.9 · 2930.90.9250
HazardClass: 8 · 8
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (50%)

Safety data

tsca: TSCA listed
ridadr: 2735
hs_code: 2930.90.9250
risk_code: 34
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c