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CAS 104344-92-5 Glycine, N-2-benzothiazolyl-N-methyl- (9CI) molecular structure lightbox
CAS RN: 104344-92-5

Glycine, N-2-benzothiazolyl-N-methyl- (9CI)

  • Product code: SSC-006097
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104344-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

104344-92-5 / 2-[1,3-benzothiazol-2-yl(methyl)amino]acetic acid

2-[(1,3-benzothiazol-2-yl)(methyl)amino]acetic acid | 2-((1,3-Benzothiazol-2-yl)(methyl)amino)acetic acid | RefChem:447293

Standard CAS: 104344-92-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104344-92-5
Multi CAS
No
Molecular Formula
C10H10N2O2S
Molecular Weight
222.270000
Exact Mass
222.046299
SMILES
CN(CC(=O)O)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H10N2O2S/c1-12(6-9(13)14)10-11-7-4-2-3-5-8(7)15-10/h2-5H,6H2,1H3,(H,13,14)
InChIKey
USYIIHFJNNAEMI-UHFFFAOYSA-N
Synonyms
2-[(1,3-benzothiazol-2-yl)(methyl)amino]acetic acid 2-((1,3-Benzothiazol-2-yl)(methyl)amino)acetic acid RefChem:447293 874-047-8 2-[1,3-benzothiazol-2-yl(methyl)amino]acetic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.53
TPSA
53.43

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
2.4
Consensus LogP
1.94
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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