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CAS 10200-61-0 1,2,3-Thiadiazole-5-carboxaldehyde molecular structure lightbox
CAS RN: 10200-61-0

1,2,3-Thiadiazole-5-carboxaldehyde

  • Product code: SSC-003207
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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 10200-61-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10200-61-0 / thiadiazole-5-carbaldehyde

1,2,3-Thiadiazole-5-carboxaldehyde | RefChem:214680 | 1,2,3-thiadiazole-5-carbaldehyde

Standard CAS: 10200-61-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10200-61-0
Multi CAS
No
Molecular Formula
C3H2N2OS
Molecular Weight
114.130000
Exact Mass
113.988784
SMILES
C1=C(SN=N1)C=O
InChI
InChI=1S/C3H2N2OS/c6-2-3-1-4-5-7-3/h1-2H
InChIKey
JJIHENIPUIXQDM-UHFFFAOYSA-N
Synonyms
1,2,3-Thiadiazole-5-carboxaldehyde RefChem:214680 1,2,3-thiadiazole-5-carbaldehyde thiadiazole-5-carbaldehyde SCHEMBL1375483

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
25.3
TPSA
42.85

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
0.6
Consensus LogP
0.42
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
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)
-3.17

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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