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CAS 105512-85-4 4-[4-(METHYLTHIO)PHENYL]-1,3-THIAZOL-2-AMINE molecular structure lightbox
CAS RN: 105512-85-4

4-[4-(METHYLTHIO)PHENYL]-1,3-THIAZOL-2-AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250711 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-007238
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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 105512-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

105512-85-4 / 4-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine

4-[4-(methylthio)phenyl]-1,3-thiazol-2-amine | 4-[4-(methylsulfanyl)phenyl]-1,3-thiazol-2-amine | 4-(4-(Methylthio)phenyl)thiazol-2-amine

Standard CAS: 105512-85-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105512-85-4
Multi CAS
No
Molecular Formula
C10H10N2S2
Molecular Weight
222.300000
Exact Mass
222.028541
SMILES
CSC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C10H10N2S2/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKey
YSUNRHCYOWYXOJ-UHFFFAOYSA-N
Synonyms
4-[4-(methylthio)phenyl]-1,3-thiazol-2-amine 4-[4-(methylsulfanyl)phenyl]-1,3-thiazol-2-amine 4-(4-(Methylthio)phenyl)thiazol-2-amine 2-Thiazolamine,4-[4-(methylthio)phenyl]- 4-(4-Methylsulfanylphenyl)-thiazol-2-ylamine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.74
TPSA
38.91

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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