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CAS 119474-31-6 6,7-difluorobenzo[b]thiazolo[3,4-d][1,4]oxazine-1(4H)-thione molecular structure lightbox
CAS RN: 119474-31-6

6,7-difluorobenzo[b]thiazolo[3,4-d][1,4]oxazine-1(4H)-thione

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250201 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS119474-31-6
  • Purity/Analytical Methods: >99.0%
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119474-31-6 / 6,7-difluoro-4H-[1,3]thiazolo[4,3-c][1,4]benzoxazine-1-thione

6,7-DIFLUOROBENZO[B]THIAZOLO[3,4-D][1,4]OXAZINE-1(4H)-THIONE | C10H5F2NOS2 | 6,7-difluoro-4H-[1,3]thiazolo[4,3-c][1,4]benzoxazine-1-thione

Standard CAS: 119474-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119474-31-6
Multi CAS
No
Molecular Formula
C10H5F2NOS2
Molecular Weight
257.300000
Exact Mass
256.978062
SMILES
C1C2=CSC(=S)N2C3=C(O1)C(=C(C=C3)F)F
InChI
InChI=1S/C10H5F2NOS2/c11-6-1-2-7-9(8(6)12)14-3-5-4-16-10(15)13(5)7/h1-2,4H,3H2
InChIKey
GGTQBSKQQSSKES-UHFFFAOYSA-N
Synonyms
6,7-DIFLUOROBENZO[B]THIAZOLO[3,4-D][1,4]OXAZINE-1(4H)-THIONE C10H5F2NOS2 6,7-difluoro-4H-[1,3]thiazolo[4,3-c][1,4]benzoxazine-1-thione 10,11-difluoro-8-oxa-4-thia-2-azatricyclo[7.4.0.0(2),?]trideca-1(13),5,9,11-tetraene-3-thione SCHEMBL9833338

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
H-bond acceptors
4
Molar refractivity
58.73
TPSA
14.16

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
2.4
Consensus LogP
2.96
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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