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CAS 1979-98-2 S-Methylthiobarbituric Acid molecular structure lightbox
CAS RN: 1979-98-2

S-Methylthiobarbituric Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-093290
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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: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥97%
  • 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 1979-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g -- 3 In Stock Beijing Inquiry
10g ≥97% 3 In Stock Hong Kong Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry
100g -- 0 Out of Stock Hong Kong Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry
500g -- 0 Out of Stock Hong Kong Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

1979-98-2 / 4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one

Standard CAS: 1979-98-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1979-98-2
Multi CAS
No
Molecular Formula
C5H6N2O2S
Molecular Weight
158.180000
Exact Mass
158.014999
SMILES
CSC1=NC(=CC(=O)N1)O
InChI
InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)
InChIKey
AEXCUJUYEZIWJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.3
TPSA
65.98

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
XLogP3
0.1
Consensus LogP
0.16
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
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)
-3.54

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 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (16.7%): 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 (16.7%): 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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