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CAS 1005613-94-4 1,5-DIMETHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 1005613-94-4

1,5-DIMETHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-001166
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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 1005613-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1005613-94-4 / 1,5-dimethylpyrazole-4-sulfonyl chloride

1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride | DTXSID80588679 | RefChem:221320

Standard CAS: 1005613-94-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1005613-94-4
Multi CAS
No
Molecular Formula
C5H7ClN2O2S
Molecular Weight
194.640000
Exact Mass
193.991676
SMILES
CC1=C(C=NN1C)S(=O)(=O)Cl
InChI
InChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-7-8(4)2/h3H,1-2H3
InChIKey
UYNDJYIYDFTXCG-UHFFFAOYSA-N
Synonyms
1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride DTXSID80588679 RefChem:221320 DTXCID20539443 675-150-9

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
40.98
TPSA
51.96

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.7
Consensus LogP
0.65
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-3.44

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 Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501

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