CAS RN: 25697-56-7
3-METHYLBENZYL MERCAPTAN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-122137
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
25697-56-7 / (3-methylphenyl)methanethiol
Basic Information
CAS
25697-56-7
Multi CAS
No
Molecular Formula
C8H10S
Molecular Weight
138.230000
Exact Mass
138.050321
SMILES
CC1=CC(=CC=C1)CS
InChI
InChI=1S/C8H10S/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
InChIKey
PNAZUQUHTIOEHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.87
TPSA
1.0000
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
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
Customers Also Viewed
-
(R)-a-Amino-3-methoxy-benzeneacetic acid
- CAS RN: 25698-23-1
- Product Code: starshine_CAS25698-23-1
- Purity/Analytical method: >99.0%
-
(R)-4-hydroxyphenylglycine
- CAS RN: 25698-27-5
- Product Code: starshine_CAS25698-27-5
- Purity/Analytical method: >99.0%
-
(R)-AMINO-(3-CHLORO-PHENYL)-ACETIC ACID
- CAS RN: 25698-37-7
- Product Code: starshine_CAS25698-37-7
- Purity/Analytical method: >99.0%
-
-
-
1-[4-(1H-BENZIMIDAZOL-1-YL)PHENYL]ETHANONE
- CAS RN: 25700-10-1
- Product Code: starshine_CAS25700-10-1
- Purity/Analytical method: >99.0%
![CAS 25699-98-3 1-[4-(1H-PYRAZOL-1-YL)PHENYL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/25699-98-3.gif)
![CAS 25700-10-1 1-[4-(1H-BENZIMIDAZOL-1-YL)PHENYL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/25700-10-1.gif)