Basic information
- CAS
73149-98-1- Standard SMILES
NCC/C=C1\c2ccccc2CSc2ccccc21.O=C(O)/C=C/C(=O)O- InChIKey
IVMXLIIUYSVZSC-BZDXOQGASA-N- Molecular formula
- C21H21NO4S
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.11912932
Names & identifiers
- Preferred name
- 1-Propanamine, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine;(E)-but-2-enedioic acid
Names & synonyms
1-Propanamine, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-, (Z)-2-butenedioate (1:1)73149-98-1RefChem:1056845VUFB-13.770(E)-3-Dibenzo(b,e)thiepin-11(6H)-ylidene-1-propanaminetrans-11-(3-Aminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin maleate
Database identifiers
- CAS
73149-98-1- PubChem CID
- 6447293
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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