[email protected]
CAS 1188964-82-0 methyl(tetrahydro-2H-thiopyran-4-yl)amine molecular structure lightbox
CAS RN: 1188964-82-0

methyl(tetrahydro-2H-thiopyran-4-yl)amine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1188964-82-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1188964-82-0 / N-methylthian-4-amine;hydrochloride

N-Methyltetrahydro-2H-thiopyran-4-amine hydrochloride | N-methylthian-4-amine hydrochloride | MFCD13857451

Standard CAS: 1188964-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188964-82-0
Multi CAS
No
Molecular Formula
C6H14ClNS
Molecular Weight
167.700000
Exact Mass
167.053548
SMILES
CNC1CCSCC1.Cl
InChI
InChI=1S/C6H13NS.ClH/c1-7-6-2-4-8-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKey
JMIPDXMPOMPTJG-UHFFFAOYSA-N
Synonyms
N-Methyltetrahydro-2H-thiopyran-4-amine hydrochloride N-methylthian-4-amine hydrochloride MFCD13857451 N-methylthian-4-amine;hydrochloride N-Methyltetrahydro-2H-thiopyran-4-aminehydrochloride

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.65
TPSA
12.03

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-2.66

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us