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CAS 100130-05-0 5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 100130-05-0

5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

6 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250212 100g Out of stock Inquiry
Batchno.20260421 1g In stock Inquiry
Batchno.20251116 250mg In stock Inquiry
Batchno.20260606 25g Out of stock Inquiry
Batchno.20250601 50g Out of stock Inquiry
Batchno.20251224 5g In stock Inquiry
  • Product code: SSC-000500
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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: 1g, 5g, 0.25g, 0.1g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 100130-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

100130-05-0 / 5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid

5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid | DTXSID60571746 | RefChem:300943

Standard CAS: 100130-05-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100130-05-0
Multi CAS
Yes
Molecular Formula
C6H7N3O2S
Molecular Weight
185.210000
Exact Mass
185.025898
SMILES
CSC1=NC=C(C(=N1)C(=O)O)N
InChI
InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
InChIKey
NTEPDMJNOBYJHJ-UHFFFAOYSA-N
Synonyms
5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid DTXSID60571746 RefChem:300943 DTXCID80522518 892-007-8

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
45.18
TPSA
89.1

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.8
Consensus LogP
0.57
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
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)
-3.51

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)
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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