Ethanaminium, N,N,N-trimethyl-2-((1-oxopropyl)thio)-, iodide (1:1)

HCID 74632
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Basic information

CAS
1866-73-5
Standard SMILES
CCC(=O)SCC[N+](C)(C)C.[I-]
InChIKey
BJQIXLJDWWVGAE-UHFFFAOYSA-M
Molecular formula
C8H18INOS
Average molar mass
303.21 g/mol
Monoisotopic mass
303.0153832

Names & identifiers

Preferred name
Ethanaminium, N,N,N-trimethyl-2-((1-oxopropyl)thio)-, iodide (1:1)
IUPAC
trimethyl(2-propanoylsulfanylethyl)azanium iodide
English name
PROPIONYLTHIOCHOLINE IODIDE
Molecular formula
C8H18INOS
Molecular weight
303.2

Names & synonyms

Propionylthiocholine iodide1866-73-5Trimethyl(2-propionylthioethyl)ammonium chlorideEthanaminium, N,N,N-trimethyl-2-((1-oxopropyl)thio)-, iodideEthanaminium, N,N,N-trimethyl-2-((1-oxopropyl)thio)-, iodide (1:1)Ethanaminium, N,N,N-trimethyl-2-[(1-oxopropyl)thio]-, iodide (1:1)RefChem:899766217-482-5(2-Mercaptoethyl)trimethylammonium iodide propionatetrimethyl(2-propanoylsulfanylethyl)azanium;iodideN,N,N-Trimethyl-2-(propionylthio)ethanaminium iodides-propionylthiocholine iodide
Show more names
Propionylthiocholine iodide ,98%S-Propionylthiocholine iodide,98%rimethyl(2-propanoylsulfanylethyl)azanium,iodiden,n,n-trimethyl-2-[(1-oxopropyl)thio]-ethanaminiuiodideEthanaminium, N,N,N-trimethyl-2-(1-oxopropyl)thio-, iodide
EINECS 217-482-5NSC 97015SCHEMBL5144335Ammonium, (2-mercaptoethyl)trimethyl-, iodide, propionateDTXSID40940118BJQIXLJDWWVGAE-UHFFFAOYSA-MNSC97015NSC-97015

Database identifiers

CAS
1866-73-5
PubChem CID
74632
DTXSID
DTXSID40940118
EC Number
217-482-5

Properties

Computed structural properties

Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
12

Physicochemical properties

Melting point
200 · 200-202 °C (lit.)
Density
1.4391 · 1.4391 (estimate)
storage temp.
-20 °C · -20°C
form
powder
InChI
1S/C8H18NOS.HI/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKey
BJQIXLJDWWVGAE-UHFFFAOYSA-M

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationEthanaminium, N,N,N-trimethyl-2-(1-oxopropyl)thio-, iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29309090
risk_code
36/37/38-41
Signal word
Danger
Symbol(GHS)
GHS05,GHS07

Chemistry & industry

Upstream & downstream products

Suppliers11 total

武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

Related reactions

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Compound notes

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