2-Amino-4-methyl-thiazole-5-carboxylic acid
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Basic information
- CAS
67899-00-7- Standard SMILES
Cc1nc(N)sc1C(=O)O- InChIKey
QCVFVGONDMKXEE-UHFFFAOYSA-N- Molecular formula
- C5H6N2O2S
- Average molar mass
- 158.18 g/mol
- Monoisotopic mass
- 158.01499843
Names & identifiers
- Preferred name
- 2-Amino-4-methyl-thiazole-5-carboxylic acid
- IUPAC
- 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid
- English name
- 2-Amino-4-methylthiazole-5-carboxylic acid
- Molecular formula
- C5H6N2O2S
- Molecular weight
- 158.18
Names & synonyms
2-Amino-4-methyl-thiazole-5-carboxylic acidRefChem:464328675-849-92-Amino-4-methylthiazole-5-carboxylic acid67899-00-72-amino-4-methyl-1,3-thiazole-5-carboxylic acidMFCD01853938Oprea1_443956SCHEMBL179966DTXSID10356767WLZ4029ALBB-004691
Show more names
AKOS BB-9207ASISCHEM A63072BUTTPARK 34\01-16TIMTEC-BB SBB0021415-Carboxy-4-methyl-1,3-thiazol-2-amine2-amino-4-methyl-5-thiazolecarboxylic acid5-Thiazolecarboxylic acid, 2-aMino-4-Methyl-
BBL005562SBB002141STK346806AKOS000303171AS-5520CS-W010897methyl 2-aminothiazol-5-carboxylic acidSY024592
Database identifiers
- CAS
67899-00-7- PubChem CID
- 832243
- DTXSID
DTXSID10356767- EC Number
- 675-849-9
- Nikkaji
- J1.278.265I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 166 · 166-170°C
- Boiling point
- 400.6 · 400.6±25.0 °C(Predicted)
- Density
- 1.532 · 1.532±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.13 · 2.13±0.37(Predicted)
- form
- solid
- Appearance
- Off-white to light yellow Solid
- Comptox DTXSID
- 10356767 · DTXSID10356767
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2934100090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
27 records
Compound notes
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