10-Methylphenothiazine-3,7-dicarbaldehyde

HCID 359358

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Basic information

CAS: 31123-52-1
Standard SMILES: CN1c2ccc(C=O)cc2Sc2cc(C=O)ccc21
InChIKey: FCHUFBLISOGXHO-UHFFFAOYSA-N
Molecular formula: C15H11NO2S
Average molar mass: 269.3 g/mol
Monoisotopic mass: 269.05104959

Names & identifiers

Preferred name: 10-Methylphenothiazine-3,7-dicarbaldehyde
IUPAC: 10-methylphenothiazine-3,7-dicarbaldehyde
English name: 10-methyl-10H-phenothiazine-3,7-dicarbaldehyde
Molecular formula: C15H11NO2S
Molecular weight: 269.32

Names & synonyms

31123-52-110-methylphenothiazine-3,7-dicarbaldehydeDTXSID90326882RefChem:235756DTXCID8027799510-methyl-10H-phenothiazine-3,7-dicarbaldehyde10H-Phenothiazine-3,7-dicarboxaldehyde, 10-methyl-NSC620169MFCD34473780PTZ33SCHEMBL2495259SCHEMBL30678529

Show more names

PTZ13

FCHUFBLISOGXHO-UHFFFAOYSA-NNSC-620169BS-47345CS-0170434F77026F691180

Database identifiers

CAS: 31123-52-1
PubChem CID: 359358
DTXSID: DTXSID90326882
Nikkaji: J963.988H

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 330

Physicochemical properties

Melting point: 204 °C · 204 °C
Boiling point: 501.6 · 501.6±50.0 °C(Predicted)
Density: 1.347 · 1.347±0.06 g/cm3(Predicted)
pka: -6.89 · -6.89±0.20(Predicted)

Chemistry & industry

Suppliers35 total

深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]

上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

郑州德元凯化工有限公司17837139533 · [email protected]

黄石林泽化工科技有限公司13597734902 13597734902 · [email protected]

Related reactions

1 records

New reaction record

HRID 1660677As reactantuspto-grants-2011_10

Compound notes

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