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CAS 1438-16-0 N-Aminorhodanine molecular structure lightbox
CAS RN: 1438-16-0

N-Aminorhodanine

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260409 1g Out of stock Inquiry
Batchno.20250124 1g / 5g / 25g / 100g Confirm by inquiry Hebei, Shandong Inquiry
Batchno.20260310 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250821 5g Out of stock Inquiry
  • Product code: starshine_CAS1438-16-0
  • Purity/Analytical Methods: >99.0%
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1438-16-0 / 3-amino-2-sulfanylidene-1,3-thiazolidin-4-one

Standard CAS: 1438-16-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1438-16-0
Multi CAS
No
Molecular Formula
C3H4N2OS2
Molecular Weight
148.210000
Exact Mass
147.976505
SMILES
C1C(=O)N(C(=S)S1)N
InChI
InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2
InChIKey
ZBUUHLDYMKTVLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.33
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.09
TPSA
46.33

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.25
XLogP3
0.1
Consensus LogP
-0.14
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
Class (SILICOS-IT)
Very 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)
-3.82

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (95.1%): Fatal in contact with skin [Danger Acute toxicity, dermal]
Precautionary Statement Codes
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501

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