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CAS 2001-93-6 DITHIOURACIL molecular structure lightbox
CAS RN: 2001-93-6

DITHIOURACIL

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5 package records5 with current stock2 grade groups
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Batchno.20260515 1g In stock Inquiry
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Batchno.20250810 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251216 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
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  • Product code: starshine_CAS2001-93-6
  • Purity/Analytical Methods: >99.0%
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2001-93-6 / 1H-pyrimidine-2,4-dithione

Standard CAS: 2001-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2001-93-6
Multi CAS
No
Molecular Formula
C4H4N2S2
Molecular Weight
144.200000
Exact Mass
143.981590
SMILES
C1=CNC(=S)NC1=S
InChI
InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey
ZEQIWKHCJWRNTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.81
TPSA
31.58

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
0.3
Consensus LogP
1.23
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-2.32

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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