Basic information
- CAS
618072-96-1- Standard SMILES
C=CCn1c(N)c(-c2nc3ccccc3n2C)sc1=S- InChIKey
CRWXYROJUWZFOO-UHFFFAOYSA-N- Molecular formula
- C14H14N4S2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.06598881
Names & identifiers
- Preferred name
- 3-Allyl-4-amino-5-(1-methyl-1H-benzimidazol-2-YL)-1,3-thiazole-2(3H)-thione
- IUPAC
- 4-amino-5-(1-methylbenzimidazol-2-yl)-3-prop-2-enyl-1,3-thiazole-2-thione
- English name
- SALOR-INT L422665-1EA
- Molecular formula
- C14H14N4S2
- Molecular weight
- 302.42
Names & synonyms
618072-96-13-allyl-4-amino-5-(1-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2(3H)-thioneRefChem:496619637-808-34-amino-5-(1-methylbenzimidazol-2-yl)-3-prop-2-enyl-1,3-thiazole-2-thione3-Allyl-4-amino-5-(1-methyl-1H-benzo[d]imidazol-2-yl)thiazole-2(3H)-thione4-amino-5-(1-methyl-1H-benzimidazol-2-yl)-3-(prop-2-en-1-yl)-1,3-thiazole-2(3H)-thioneChemDiv2_001470Oprea1_063242MLS000088673CHEMBL1539894HMS1373C18
Show more names
SALOR-INT L422665-1EA2(3H)-Thiazolethione, 4-amino-5-(1-methyl-1H-benzimidazol-2-yl)-3-(2-propen-1-yl)-
HMS2431O14HTS26729STK813823AKOS001685421CCG-115807SMR000072687ST50090412
Database identifiers
- CAS
618072-96-1- PubChem CID
- 890823
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 449.5 · 449.5±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 5.06 · 5.06±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 39 reports by companies from 2 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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