2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
Basic information
- CAS
19197-44-5- Standard SMILES
CC1CCNc2ccccc2S1- InChIKey
ONDQDOJJBDXTPY-UHFFFAOYSA-N- Molecular formula
- C10H13NS
- Average molar mass
- 179.28 g/mol
- Monoisotopic mass
- 179.07687059
Names & identifiers
- Preferred name
- 2-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
- IUPAC
- 2-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepine
- English name
- 2-METHYL-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPINE
- Molecular formula
- C10H13NS
- Molecular weight
- 179.28
Names & synonyms
19197-44-52-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepineDTXSID10403705RefChem:263056DTXCID40354559837-251-82-Methyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine1,5-Benzothiazepine, 2,3,4,5-tetrahydro-2-methyl-SCHEMBL19470001UAA19744AKOS008965433EN300-10764
Show more names
G27452Z56347587
Database identifiers
- CAS
19197-44-5- PubChem CID
- 4492215
- DTXSID
DTXSID10403705- EC Number
- 837-251-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 115 · 115-120 °C(Press: 0.25 Torr)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- pka
- 4.49 · 4.49±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H318-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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