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CAS 34772-97-9 2(1H)-Pyrimidinethione, 5-chloro- (9CI) molecular structure lightbox
CAS RN: 34772-97-9

2(1H)-Pyrimidinethione, 5-chloro- (9CI)

  • Product code: SSC-141376
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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
  • 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 34772-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 3 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

34772-97-9 / 5-chloro-1H-pyrimidine-2-thione

Standard CAS: 34772-97-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34772-97-9
Multi CAS
Yes
Molecular Formula
C4H3CLN2S
Molecular Weight
146.600000
Exact Mass
145.970547
InChI
InChI=1S/C4H3ClN2S/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChIKey
YQPFSEFXQRQMHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.43
TPSA
28.68

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
0.7
Consensus LogP
1.35
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.34

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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