Basic information
- CAS
1154-12-7- Standard SMILES
CN(C)CCC=C1c2ccccc2CSc2sccc21.Cl- InChIKey
KTFGSVWWMYCIJB-UHFFFAOYSA-N- Molecular formula
- C17H20ClNS2
- Average molar mass
- 337.9 g/mol
- Monoisotopic mass
- 337.0725697
Names & identifiers
- Preferred name
- 1-Propanamine, N,N-dimethyl-3-(thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene)-, hydrochloride (1:1)
- IUPAC
- N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride
- English name
- (dimethyl)[3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropyl]ammonium chloride
- Molecular formula
- C17H20ClNS2
- Molecular weight
- 337.93
Names & synonyms
1154-12-7Dithiaden hydrochlorideDithiadene hydrochlorideRefChem:4061621-PROPANAMINE, N,N-DIMETHYL-3-(THIENO(2,3-C)(2)BENZOTHIEPIN-4(9H)-YLIDENE)-, HYDROCHLORIDE (1:1)(dimethyl)[3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropyl]ammonium chlorideN,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride(Dimethyl)(3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidenepropyl)ammonium chlorideEINECS 214-575-24-(3-Dimethylaminopropyliden)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin hydrochloridKTFGSVWWMYCIJB-UHFFFAOYSA-NDTXSID501366208
Show more names
N,N-dimethyl-3-thien1-Propanamine,N,N-dimethyl-3-(thieno[2,3-c][2]benzothiepin-4(9H)-ylidene)-,hydrochloride(1:1)
4-(3-Dimethylaminopropyliden)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin hydrochlorid [German]4-(3-Dimethylaminopropylidene)-4,9-dihydrobenzo(e)thieno(2,3-b)thiepin hydrochlorideBenzo(e)thieno(2,3-b)thiepin, 4,9-dihydro-4-(3-dimethylaminopropylidene)-, hydrochlorideQ27256731
Properties
Computed structural properties
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 243 · 243-245 °C
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 383272 EF0I · 383272EF0I
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers6 total
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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