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CAS 1171535-57-1 2-AMino-6H-[1,3,4]thiadiazine-5-carboxylic acid HCl molecular structure lightbox
CAS RN: 1171535-57-1

2-AMino-6H-[1,3,4]thiadiazine-5-carboxylic acid HCl

  • Product code: SSC-017003
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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 1171535-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1171535-57-1 / 2-amino-6H-1,3,4-thiadiazine-5-carboxylic acid;hydrochloride

DTXSID10588703 | 2-Amino-6H-1,3,4-thiadiazine-5-carboxylic acid--hydrogen chloride (1/1) | RefChem:255865

Standard CAS: 1171535-57-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1171535-57-1
Multi CAS
Yes
Molecular Formula
C4H6ClN3O2S
Molecular Weight
195.630000
Exact Mass
194.986925
SMILES
C1C(=NN=C(S1)N)C(=O)O.Cl
InChI
InChI=1S/C4H5N3O2S.ClH/c5-4-7-6-2(1-10-4)3(8)9;/h1H2,(H2,5,7)(H,8,9);1H
InChIKey
KEGHTJPIWPZANP-UHFFFAOYSA-N
Synonyms
DTXSID10588703 2-Amino-6H-1,3,4-thiadiazine-5-carboxylic acid--hydrogen chloride (1/1) RefChem:255865 DTXCID60539467 2-amino-6H-1,3,4-thiadiazine-5-carboxylic acid hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
46.4
TPSA
88.04

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.08
XLogP3
-0.09
Consensus LogP
-0.09
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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