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CAS 103440-65-9 6-Benzothiazolemethanol,2-methyl-(6CI) molecular structure lightbox
CAS RN: 103440-65-9

6-Benzothiazolemethanol,2-methyl-(6CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-004983
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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: 0.1g
  • 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 103440-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

103440-65-9 / (2-methyl-1,3-benzothiazol-6-yl)methanol

(2-METHYLBENZO[D]THIAZOL-6-YL)METHANOL | (2-methyl-1,3-benzothiazol-6-yl)methanol | 6-Benzothiazolemethanol,2-methyl-(6CI)

Standard CAS: 103440-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103440-65-9
Multi CAS
No
Molecular Formula
C9H9NOS
Molecular Weight
179.240000
Exact Mass
179.040485
SMILES
CC1=NC2=C(S1)C=C(C=C2)CO
InChI
InChI=1S/C9H9NOS/c1-6-10-8-3-2-7(5-11)4-9(8)12-6/h2-4,11H,5H2,1H3
InChIKey
KMABUKKLVPBEIB-UHFFFAOYSA-N
Synonyms
(2-METHYLBENZO[D]THIAZOL-6-YL)METHANOL (2-methyl-1,3-benzothiazol-6-yl)methanol 6-Benzothiazolemethanol,2-methyl-(6CI) MFCD02940901 2-Methyl-6-benzothiazolemethanol

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.28
TPSA
33.12

LogP / Solubility

WLOGP
2.1
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

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

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