Basic information
- CAS
143122-18-3- Standard SMILES
Cn1c(CO)c[nH]c1=S- InChIKey
GXYFRGKYSBWAEO-UHFFFAOYSA-N- Molecular formula
- C5H8N2OS
- Average molar mass
- 144.2 g/mol
- Monoisotopic mass
- 144.03573406
Names & identifiers
- Preferred name
- 5-(Hydroxymethyl)-1-methyl-1,3-dihydro-2H-imidazole-2-thione
- IUPAC
- 4-(hydroxymethyl)-3-methyl-1H-imidazole-2-thione
- English name
- (2-Mercapto-1-methyl-1H-imidazol-5-yl)methanol
- Molecular formula
- C5H8N2OS
- Molecular weight
- 144.2
Names & synonyms
143122-18-3DTXSID103842475-(Hydroxymethyl)-1-methyl-1,3-dihydro-2H-imidazole-2-thioneRefChem:300504DTXCID30335271(2-mercapto-1-methyl-1H-imidazol-5-yl)methanol4-(hydroxymethyl)-3-methyl-1H-imidazole-2-thione(1-METHYL-2-SULFANYL-1H-IMIDAZOL-5-YL)METHANOLMFCD00215147(3-methyl-2-sulfanylimidazol-4-yl)methanol5-(HYDROXYMETHYL)-2-MERCAPTO-1-METHYLIMIDAZOLE5-Hydroxymethyl-2-mercapto-1-methyl-1H-imidazole
Show more names
(2-Mercapto-1-methyl-1H-imidazol-5-yl)2-Mercapto-1-methylimidazole-5-methanol4-(Hydroxymethyl)-2-mercapto-1-methylimidazole(1-Methyl-2-thioxo-1,2-dihydroimidazol-5-yl)methanol(2-Mercapto-1-methyl-1H-imidazol-5-yl)methanol, tech
SCHEMBL3763823GXYFRGKYSBWAEO-UHFFFAOYSA-N2H-Imidazole-2-thione, 1,3-dihydro-5-(hydroxymethyl)-1-methyl-TFA12218SBB086358AKOS005070351AKOS015898077AB04871
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 223 · 223-226°C
- Boiling point
- 258.9 · 258.9±32.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 11.92 · 11.92±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers23 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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