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CAS 209741-11-7 Guanidine, 6-benzothiazolyl- (9CI) molecular structure lightbox
CAS RN: 209741-11-7

Guanidine, 6-benzothiazolyl- (9CI)

  • Product code: SSC-099545
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 209741-11-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

209741-11-7 / 2-(1,3-benzothiazol-6-yl)guanidine

Standard CAS: 209741-11-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209741-11-7
Multi CAS
No
Molecular Formula
C8H8N4S
Molecular Weight
192.240000
Exact Mass
192.046967
SMILES
C1=CC2=C(C=C1N=C(N)N)SC=N2
InChI
InChI=1S/C8H8N4S/c9-8(10)12-5-1-2-6-7(3-5)13-4-11-6/h1-4H,(H4,9,10,12)
InChIKey
ZJBPGCPDBLEULA-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
0.5
Consensus LogP
0.92
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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