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CAS 2582-07-2 benzothiazol-2-ylguanidine molecular structure lightbox
CAS RN: 2582-07-2

benzothiazol-2-ylguanidine

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 1g In stock Inquiry
Batchno.20250929 250mg In stock Inquiry
Batchno.20250303 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260622 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2582-07-2
  • Purity/Analytical Methods: >99.0%
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2582-07-2 / 2-(1,3-benzothiazol-2-yl)guanidine

Standard CAS: 2582-07-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2582-07-2
Multi CAS
No
Molecular Formula
C8H8N4S
Molecular Weight
192.240000
Exact Mass
192.046967
SMILES
C1=CC=C2C(=C1)N=C(S2)N=C(N)N
InChI
InChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)
InChIKey
QMHWARSFUCGBJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.09
TPSA
77.29

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.1
Consensus LogP
1.12
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

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

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