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CAS 79319-85-0 BISMERTHIAZOL molecular structure lightbox
CAS RN: 79319-85-0

BISMERTHIAZOL

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251115 1g In stock Shanghai Inquiry
Batchno.20250605 1g / 10g / 50g / 250g / 1kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei 8-10 business days Inquiry
Batchno.20250927 25g In stock Shanghai Inquiry
Batchno.20251007 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS79319-85-0
  • Purity/Analytical Methods: >99.0%
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79319-85-0 / 5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methylamino]-3H-1,3,4-thiadiazole-2-thione

Standard CAS: 79319-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79319-85-0
Multi CAS
No
Molecular Formula
C5H6N6S4
Molecular Weight
278.400000
Exact Mass
277.953679
InChI
InChI=1S/C5H6N6S4/c12-4-10-8-2(14-4)6-1-7-3-9-11-5(13)15-3/h1H2,(H,6,8)(H,7,9)(H,10,12)(H,11,13)
InChIKey
RSNWORHVUOZYLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
4
Molar refractivity
66.71
TPSA
81.42

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
1.3
Consensus LogP
1.81
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

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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