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2,3-Dihydro-1,5-benzothiazepin-4(5H)-one

2,3-Dihydro-1,5-benzothiazepin-4(5H)-one structure

CAS No:
53454-43-6
Formula:
C9H9NOS
Chemical Name:
2,3-Dihydro-1,5-benzothiazepin-4(5H)-one
Synonyms:
1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-;2,3-Dihydro-1,5-benzothiazepin-4(5H)-one;4-Oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine;NSC 75690;2,3-Dihydrobenzo[b][1,4]thiazepin-4(5H)-one;2,3,4,5-Tetrahydro-1,5-benzothiazepin-4-one;3,5-Dihydro-2H-1,5-benzothiazepin-4-one

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2,3-Dihydro-1,5-benzothiazepin-4(5H)-one Basic Attributes

Molecular Weight：

179.24 g/mol

Exact Mass：

179.24

UNII：

F1BZY09GXA

NSC Number：

75690

DSSTox ID：

DTXSID80201619

Characteristics

PSA：

54.4 Å²

Melting Point：

218 °C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:179.24
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:179.04048508
Monoisotopic Mass:179.04048508
Topological Polar Surface Area:54.4
Heavy Atom Count:12
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: carbon tetrabromide; dinitrogen tetroxide formula; caprylic/capric triglyceride; cyanic acid; calcium nitride; oxalic acid formula

Guide of 2,3-Dihydro-1,5-benzothiazepin-4(5H)-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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