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CAS 1198-47-6 6-Methylthioguanine molecular structure lightbox
CAS RN: 1198-47-6

6-Methylthioguanine

Product Availability

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 100mg In stock Inquiry
Batchno.20250411 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260628 100mg / 500mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 100mg In stock Shanghai Inquiry
Batchno.20260315 1g In stock Shanghai Inquiry
Batchno.20260504 250mg In stock Shanghai Inquiry
Batchno.20250316 50mg In stock Shanghai Inquiry
  • Product code: SSC-020547
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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: 1g
  • 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 1198-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1198-47-6 / 6-methylsulfanyl-7H-purin-2-amine

6-Methylthioguanine | QNV75HJN3A | s6-methylthioguanine

Standard CAS: 1198-47-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1198-47-6
Multi CAS
Yes
Molecular Formula
C6H7N5S
Molecular Weight
181.220000
Exact Mass
181.042216
SMILES
CSC1=NC(=NC2=C1NC=N2)N
InChI
InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
InChIKey
YEGKYFQLKYGHAR-UHFFFAOYSA-N
Synonyms
6-Methylthioguanine QNV75HJN3A s6-methylthioguanine NSC-29420 DTXSID60152594

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
47.88
TPSA
80.48

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.3
Consensus LogP
0.51
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.52
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)
-3.36

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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