2-(6,12-Dimethyl-4-thia-2,7,11,13-tetraazatricyclo(7.4.0.0,3,7)trideca-1(13),5,9,11-tetraen-5-yl)ethan-1-ol
Basic information
- CAS
80483-97-2- Standard SMILES
CC1=C(CCO)SC2Nc3nc(C)ncc3CN12- InChIKey
GUZDNRNUKYNCQD-UHFFFAOYSA-N- Molecular formula
- C12H16N4OS
- Average molar mass
- 264.35 g/mol
- Monoisotopic mass
- 264.10448232
Names & identifiers
- Preferred name
- 2-(6,12-Dimethyl-4-thia-2,7,11,13-tetraazatricyclo(7.4.0.0,3,7)trideca-1(13),5,9,11-tetraen-5-yl)ethan-1-ol
- IUPAC
- 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),5,9,11-tetraen-5-yl)ethanol
Names & synonyms
80483-97-22-(6,12-Dimethyl-4-thia-2,7,11,13-tetraazatricyclo(7.4.0.0,3,7)trideca-1(13),5,9,11-tetraen-5-yl)ethan-1-ol2-{6,12-dimethyl-4-thia-2,7,11,13-tetraazatricyclo[7.4.0.0,3,7]trideca-1(13),5,9,11-tetraen-5-yl}ethan-1-olRefChem:459038837-294-22-(2,7-Dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d]thiazolo[3,2-a]pyrimidin-8-yl)ethanolThiamine /Vitamin B1 Impurity 46CS-01662102-(2,7-dimethyl-9a,10-dihydro-5H-pyrimido[4,5-d]thiazolo[3,2-a]pyrimidin-8-yl)ethanol? (Vitamin Impurity
Database identifiers
- CAS
80483-97-2- PubChem CID
- 102437503
- EC Number
- 837-294-2
- Nikkaji
- J304.672I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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