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CAS 1179918-36-5 5-Methyl-1H-pyrazole-4-sulfonyl chloride molecular structure lightbox
CAS RN: 1179918-36-5

5-Methyl-1H-pyrazole-4-sulfonyl chloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-017836
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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: ＞97%
  • 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 1179918-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1179918-36-5 / 5-methyl-1H-pyrazole-4-sulfonyl chloride

5-methyl-1H-pyrazole-4-sulfonyl chloride | RefChem:536913 | 846-049-9

Standard CAS: 1179918-36-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1179918-36-5
Multi CAS
No
Molecular Formula
C4H5ClN2O2S
Molecular Weight
180.610000
Exact Mass
179.976026
SMILES
CC1=C(C=NN1)S(=O)(=O)Cl
InChI
InChI=1S/C4H5ClN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKey
HAIPHBVEKLIHCB-UHFFFAOYSA-N
Synonyms
5-methyl-1H-pyrazole-4-sulfonyl chloride RefChem:536913 846-049-9 MFCD17167103 SCHEMBL2921045

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.36
TPSA
62.82

LogP / Solubility

WLOGP
0.65
MLOGP
0.57
XLogP3
0.6
Consensus LogP
0.61
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
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)
-3.36

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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