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CAS 122641-10-5 1-(2-MORPHOLINOETHYL)-2-THIOUREA molecular structure lightbox
CAS RN: 122641-10-5

1-(2-MORPHOLINOETHYL)-2-THIOUREA

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS122641-10-5
  • Purity/Analytical Methods: >99.0%
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122641-10-5 / 2-morpholin-4-ylethylthiourea

Standard CAS: 122641-10-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122641-10-5
Multi CAS
No
Molecular Formula
C7H15N3OS
Molecular Weight
189.280000
Exact Mass
189.093583
SMILES
C1COCCN1CCNC(=S)N
InChI
InChI=1S/C7H15N3OS/c8-7(12)9-1-2-10-3-5-11-6-4-10/h1-6H2,(H3,8,9,12)
InChIKey
MIVHEVIWHMEELG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.05
TPSA
50.52

LogP / Solubility

WLOGP
-0.85
MLOGP
-0.75
XLogP3
-0.8
Consensus LogP
-0.8
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.48

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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