Naphtho[1,2-d]thiazole-2(1H)-thione, 1-ethyl-4,5-dihydro-
Basic information
- CAS
63123-25-1- Standard SMILES
CCn1c2c(sc1=S)CCc1ccccc1-2- InChIKey
LLLDOZVMMUSWMD-UHFFFAOYSA-N- Molecular formula
- C13H13NS2
- Average molar mass
- 247.4 g/mol
- Monoisotopic mass
- 247.04894177
Names & identifiers
- Preferred name
- Naphtho[1,2-d]thiazole-2(1H)-thione, 1-ethyl-4,5-dihydro-
- IUPAC
- 1-ethyl-4,5-dihydrobenzo[e][1,3]benzothiazole-2-thione
- English name
- 1-Ethyl-4,5-dihydronaphtho[1,2-d]thiazole-2(1H)-thione
- Molecular formula
- C13H13NS2
- Molecular weight
- 247.38
Names & synonyms
naphtho[1,2-d]thiazole-2(1h)-thione, 1-ethyl-4,5-dihydro-DTXSID4069680Naphtho(1,2-d)thiazole-2(1H)-thione, 1-ethyl-4,5-dihydro-RefChem:832036DTXCID804365863123-25-11-ethyl-4,5-dihydronaphtho[1,2-d][1,3]thiazole-2(1H)-thione1-Ethyl-4,5-dihydronaphtho[1,2-d]thiazole-2(1H)-thioneDB-312149
Database identifiers
- CAS
63123-25-1- PubChem CID
- 113016
- DTXSID
DTXSID4069680- Nikkaji
- J429.506D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 396.9 · 396.9±52.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -2.21 · -2.21±0.20(Predicted)
- EPA Substance Registry System
- 1 · Naphtho[1,2-d]thiazole-2(1H)-thione, 1-ethyl-4,5-dihydro- (63123-25-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphtho[1,2-d]thiazole-2(1H)-thione, 1-ethyl-4,5-dihydro-: ACTIVE
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Related reactions
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Compound notes
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