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CAS 6112-76-1 6-Mercaptopurine Monohydrate molecular structure lightbox
CAS RN: 6112-76-1

6-Mercaptopurine Monohydrate

Product Availability

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9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 1g In stock Inquiry
Batchno.20250818 25g In stock Inquiry
Batchno.20260603 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260521 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20260225 1kg Out of stock Inquiry
Batchno.20250902 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250208 500g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250429 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-169909
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6112-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

6112-76-1 / 3,7-dihydropurine-6-thione;hydrate

Standard CAS: 6112-76-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6112-76-1
Multi CAS
Yes
Molecular Formula
C5H6N4OS
Molecular Weight
170.200000
Exact Mass
170.026232
InChI
InChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2
InChIKey
WFFQYWAAEWLHJC-UHFFFAOYSA-N

Physical Properties

Melting Point
586 °F (decomposes) (NTP, 1992)
Physical Description
6-mercaptopurine monohydrate is an odorless light yellow to yellow crystalline powder. Becomes anhydrous at 284 °F. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.69
TPSA
88.86

LogP / Solubility

WLOGP
0.19
MLOGP
0.16
XLogP3
0.19
Consensus LogP
0.18
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.62

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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