CAS RN: 1600814-98-9
2-methyl-4-(methylthio)butan-2-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260603 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1600814-98-9
- Purity/Analytical Methods: >99.0%
1600814-98-9 / 2-methyl-4-methylsulfanylbutan-2-amine
Basic Information
CAS
1600814-98-9
Multi CAS
No
Molecular Formula
C6H15NS
Molecular Weight
133.260000
Exact Mass
133.092521
SMILES
CC(C)(CCSC)N
InChI
InChI=1S/C6H15NS/c1-6(2,7)4-5-8-3/h4-5,7H2,1-3H3
InChIKey
YFVBCAVONOZEII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.27
TPSA
26.02
LogP / Solubility
WLOGP
1.48
MLOGP
1.29
XLogP3
0.9
Consensus LogP
1.22
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501
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