CAS 4338-95-8 S-methylthiouronium iodide (HCID 197812)

Names & identifiers

Preferred name: S-methylthiouronium iodide
IUPAC: methyl carbamimidothioate;hydroiodide
English name: Methyl aminomethanimidothioate hydroiodide
Molecular formula: C2H7IN2S
Molecular weight: 218.06

Names & synonyms

S-Methylthiouronium iodideRefChem:884268224-391-44338-95-8Methyl aminomethanimidothioate hydroiodideS-Methylisothiourea hydroiodidemethyl carbamimidothioate hydroiodidemethyl carbamimidothioate;hydroiodideMethylthiouronium iodideMFCD000355982-Methyl-2-thiopseudourea hydroiodide2-Methyl-isothiourea; hydriodide

Show more names

hydriodidemethylthiouroniumiodides-methylthiuroniumiodides-methylthiouroniumiodide2-methylisothiouroniumiodides-methylisothiouroniumiodides-methylisothioureahydriodide2-Methyl-isothiourea: hydriodide

(methylsulfanyl)methanimidamide hydroiodideNSC-142512Sulfiodemethylthiocarboxamidine, iodideS-Methylthiuronium iodide2-Methylisothiouronium iodideS-Methylisothiouronium iodideS-Methylisothiourea hydriodide

Database identifiers

CAS: 4338-95-8
PubChem CID: 197812
UNII: 54P7E3EDR4
EC Number: 224-391-4

Properties

Computed structural properties

Topological polar surface area: 75.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 42

Physicochemical properties

Melting point: 82 °C · 82 °C
storage temp.: 2 · Storage temp. 2-8°C
form: solid
color: Yellow
InChI: 1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H
InChIKey: LFXAECSQJSRSTP-UHFFFAOYSA-N
SMILES: I.CSC(N)=N
CAS DataBase Reference: 4338 · 4338-95-8
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
WGK Germany: 3 · WGK 3
HS Code: 2930909899 · 2930909899
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Safety data

wgk: WGK 3
hs_code: 2930909899
risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Storage Class: 13 - Non Combustible Solids
Hazard statements: H302-H315-H319
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications

Uses2-Methyl-2-isothiourea Hydriodide is used as a reactant in the synthesis of alkyl/acyl guanidines and pyrimidine derivatives. It can also be used as a catalyst in the rearrangement of penicillin 1-oxides.