CAS RN: 1496511-49-9
2-methyl-2H-1,2,3-triazole-4-sulfonylchloride
- Product code: SSC-059613
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1496511-49-9 / 2-methyltriazole-4-sulfonyl chloride
Basic Information
CAS
1496511-49-9
Multi CAS
No
Molecular Formula
C3H4ClN3O2S
Molecular Weight
181.600000
Exact Mass
180.971275
SMILES
CN1N=CC(=N1)S(=O)(=O)Cl
InChI
InChI=1S/C3H4ClN3O2S/c1-7-5-2-3(6-7)10(4,8)9/h2H,1H3
InChIKey
UMBLUOCAGHLXNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
34.04
TPSA
64.85
LogP / Solubility
WLOGP
-0.26
MLOGP
-0.23
XLogP3
0.6
Consensus LogP
0.04
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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