2-(((1H-imidazol-2-yl)methyl)sulfanyl)acetic acid hydrochloride
Basic information
- CAS
1311314-29-0- Standard SMILES
Cl.O=C(O)CSCc1ncc[nH]1- InChIKey
VZQGBHMDZKIFCG-UHFFFAOYSA-N- Molecular formula
- C6H9ClN2O2S
- Average molar mass
- 208.67 g/mol
- Monoisotopic mass
- 208.0073264
Names & identifiers
- Preferred name
- 2-(((1H-imidazol-2-yl)methyl)sulfanyl)acetic acid hydrochloride
- IUPAC
- 2-(1H-imidazol-2-ylmethylsulfanyl)acetic acid;hydrochloride
- English name
- 2-[(1H-imidazol-2-ylmethyl)sulfanyl]acetic acid hydrochloride
- Molecular formula
- C6H9ClN2O2S
- Molecular weight
- 208.66
Names & synonyms
2-{[(1H-imidazol-2-yl)methyl]sulfanyl}acetic acid hydrochloride2-(((1H-imidazol-2-yl)methyl)sulfanyl)acetic acid hydrochloride2-([(1H-IMIDAZOL-2-YL)METHYL]SULFANYL)ACETIC ACID HYDROCHLORIDERefChem:446704979-216-01311314-29-02-[(1H-imidazol-2-ylmethyl)sulfanyl]acetic acid hydrochloride2-(1H-imidazol-2-ylmethylsulfanyl)acetic acid;hydrochlorideLCC31429AKOS026726290EN300-73809G44258
Show more names
Z11629078972-[(1H-imidazol-2-ylmethyl)sulfanyl]aceticacidhydrochloride
Database identifiers
- CAS
1311314-29-0- PubChem CID
- 54592697
- EC Number
- 979-216-0
Properties
Computed structural properties
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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