[email protected]
CAS 80983-36-4 5-(Propylthio)-1H-benzimidazol-2-amine molecular structure lightbox
CAS RN: 80983-36-4

5-(Propylthio)-1H-benzimidazol-2-amine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS80983-36-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

80983-36-4 / 6-propylsulfanyl-1H-benzimidazol-2-amine

Standard CAS: 80983-36-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80983-36-4
Multi CAS
Yes
Molecular Formula
C10H13N3S
Molecular Weight
207.300000
Exact Mass
207.083019
InChI
InChI=1S/C10H13N3S/c1-2-5-14-7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)
InChIKey
RKMOQLOKJZARIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.52
TPSA
54.7

LogP / Solubility

WLOGP
2.65
MLOGP
2.33
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.11

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us