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CAS 31183-81-0 2-aMino-4-Methylbenzenethiol molecular structure lightbox
CAS RN: 31183-81-0

2-aMino-4-Methylbenzenethiol

  • Product code: SSC-136452
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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: ≥95%
  • 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 31183-81-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

31183-81-0 / 2-amino-4-methylbenzenethiol

Standard CAS: 31183-81-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31183-81-0
Multi CAS
No
Molecular Formula
C7H9NS
Molecular Weight
139.220000
Exact Mass
139.045570
InChI
InChI=1S/C7H9NS/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKey
QCLMTLDABHUUBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.84
TPSA
26.02

LogP / Solubility

WLOGP
1.87
MLOGP
1.63
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.24

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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