(2h)1,4-benzothiazin-3(4h)-one

Modify Date: 2025-08-20 20:01:12

(2h)1,4-benzothiazin-3(4h)-one Structure
(2h)1,4-benzothiazin-3(4h)-one structure
Common Name (2h)1,4-benzothiazin-3(4h)-one
CAS Number 5325-20-2 Molecular Weight 165.21200
Density 1.287g/cm3 Boiling Point 356.6ºC at 760mmHg
Molecular Formula C8H7NOS Melting Point 176-178 °C(lit.)
MSDS N/A Flash Point 169.5ºC

 Names

Name 2H-Benzo[b][1,4]thiazin-3(4H)-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.287g/cm3
Boiling Point 356.6ºC at 760mmHg
Melting Point 176-178 °C(lit.)
Molecular Formula C8H7NOS
Molecular Weight 165.21200
Flash Point 169.5ºC
Exact Mass 165.02500
PSA 54.40000
LogP 1.86880
Index of Refraction 1.52
InChIKey GTFMIJNXNMDHAB-UHFFFAOYSA-N
SMILES O=C1CSc2ccccc2N1

 Safety Information

Hazard Codes Xi
Safety Phrases S24/25
WGK Germany 3
HS Code 2934999090

 Synthetic Route

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 (2h)1,4-benzothiazin-3(4h)-oneBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
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 Synonyms

EINECS 226-197-5
2H-1,4-Benzothiazin-3(4H)-one
(2H)1,4-BENZOTHIAZIN-3(4H)-ONE
4H-1,4-benzothiazin-3-one
MFCD00006698
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