[email protected]
CAS 59918-68-2 3-FURANCARBOTHIOAMIDE molecular structure lightbox
CAS RN: 59918-68-2

3-FURANCARBOTHIOAMIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250731 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS59918-68-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

59918-68-2 / furan-3-carbothioamide

Standard CAS: 59918-68-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59918-68-2
Multi CAS
Yes
Molecular Formula
C5H5NOS
Molecular Weight
127.170000
Exact Mass
127.009185
InChI
InChI=1S/C5H5NOS/c6-5(8)4-1-2-7-3-4/h1-3H,(H2,6,8)
InChIKey
FHPWEMZQNZDEMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.6
TPSA
39.16

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.7
Consensus LogP
0.8
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-2.85

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

Customers Also Viewed

Get In Touch

Contact Us