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CAS 4623-55-6 2-amino-3-cyano-5-methylthiophene molecular structure lightbox
CAS RN: 4623-55-6

2-amino-3-cyano-5-methylthiophene

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250110 25g In stock Shanghai Inquiry
Batchno.20260411 5g In stock Shanghai Inquiry
  • Product code: SSC-153766
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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, 5g, 10g, 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 4623-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

4623-55-6 / 2-amino-4-methylthiophene-3-carbonitrile

Standard CAS: 4623-55-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4623-55-6
Multi CAS
Yes
Molecular Formula
C6H6N2S
Molecular Weight
138.190000
Exact Mass
138.025169
InChI
InChI=1S/C6H6N2S/c1-4-3-9-6(8)5(4)2-7/h3H,8H2,1H3
InChIKey
VVLPOLLOKMOHOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.18
TPSA
49.81

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
1.9
Consensus LogP
1.58
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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