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CAS 1134203-14-7 (5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one molecular structure lightbox
CAS RN: 1134203-14-7

(5Z)-5-{[4-(dimethylamino)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 5g / 25g / 250g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1134203-14-7
  • Purity/Analytical Methods: >99.0%
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1134203-14-7 / (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4-Dimethylaminobenzylidenerhodanine | RefChem:522530 | 5-(4-Dimethylaminobenzylidene)rhodanine

Standard CAS: 1134203-14-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1134203-14-7
Multi CAS
Yes
Molecular Formula
C12H12N2OS2
Molecular Weight
264.400000
Exact Mass
264.039105
SMILES
CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)S2
InChI
InChI=1S/C12H12N2OS2/c1-14(2)9-5-3-8(4-6-9)7-10-11(15)13-12(16)17-10/h3-7H,1-2H3,(H,13,15,16)/b10-7-
InChIKey
JJRVRELEASDUMY-YFHOEESVSA-N
Synonyms
4-Dimethylaminobenzylidenerhodanine RefChem:522530 5-(4-Dimethylaminobenzylidene)rhodanine 5-(4-(Dimethylamino)benzylidene)-2-mercaptothiazol-4(5H)-one p-Dimethylaminobenzalrhodanine

Physical Properties

Physical Description
Deep red solid; [Merck Index] Red powder with a weak odor
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.08
TPSA
32.34

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.9
Consensus LogP
2.37
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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