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CAS 31785-05-4 5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 31785-05-4

5-AMINO-2-METHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260101 1g In stock Shanghai Inquiry
Batchno.20251013 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-137223
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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: 5g
  • 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 31785-05-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

31785-05-4 / 1-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Standard CAS: 31785-05-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31785-05-4
Multi CAS
Yes
Molecular Formula
C7H10N2O2S
Molecular Weight
186.230000
Exact Mass
186.046299
InChI
InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3,8H2,1-2H3
InChIKey
HNDBOQZBZYRXMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.36
TPSA
49.41

LogP / Solubility

WLOGP
0.03
MLOGP
0.02
XLogP3
0.5
Consensus LogP
0.18
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-3.83

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

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