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CAS 2103-88-0 2-MERCAPTO-4-PHENYLTHIAZOLE molecular structure lightbox
CAS RN: 2103-88-0

2-MERCAPTO-4-PHENYLTHIAZOLE

  • Product code: SSC-100083
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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: 5g
  • 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 2103-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

2103-88-0 / 4-phenyl-3H-1,3-thiazole-2-thione

Standard CAS: 2103-88-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2103-88-0
Multi CAS
No
Molecular Formula
C9H7NS2
Molecular Weight
193.300000
Exact Mass
193.001992
SMILES
C1=CC=C(C=C1)C2=CSC(=S)N2
InChI
InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey
CYCKHTAVNBPQDB-UHFFFAOYSA-N

Physical Properties

Physical Description
White solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.94
TPSA
15.79

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
2.5
Consensus LogP
3.01
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43

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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