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3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzothiazepine-4,10-dione

3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzothiazepine-4,10-dione structure

CAS No:
151324-42-4
Formula:
C11H9NO2S2
Chemical Name:
3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzothiazepine-4,10-dione
Synonyms:
NSC655065;CHEMBL321445;SCHEMBL14464044;1H,3H,5H-Thiazolo[4,3-c][1,4]benzothiazepine-5,11(11aH)-dione;BDBM50079912;NSC-655065;151324-42-4;NCI60_019045;1,10a-Dihydro-2,9-dithia-3a-aza-benzo[f]azulene-4,10-dione;3,3a-dihydro-1H-thiazolo[4,3-c][1,4]benzothiazepine-4,10-dione;1H,3H,3aH-Benzo[f]1,3-thiazolidino[4,3-c]1,4-thiazaperhydroepine-4,10-dione

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3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzothiazepine-4,10-dione Basic Attributes

Molecular Weight：

251.3 g/mol

Exact Mass：

251.00747088 g/mol

NSC Number：

655065

Characteristics

PSA：

88 Å²

XLogP3：

1.7719

Melting Point：

145 - 146 °C (petroleum ether)

Computed Properties

Molecular Weight:251.3
XLogP3:2
Hydrogen Bond Acceptor Count:4
Exact Mass:251.00747088
Monoisotopic Mass:251.00747088
Topological Polar Surface Area:88
Heavy Atom Count:16
Complexity:334
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

151324-48-0

151324-42-4

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Guide of 3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzothiazepine-4,10-dione

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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