[email protected]
CAS 16215-21-7 BUTYL 3-MERCAPTOPROPIONATE molecular structure lightbox
CAS RN: 16215-21-7

BUTYL 3-MERCAPTOPROPIONATE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS16215-21-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

16215-21-7 / butyl 3-sulfanylpropanoate

Standard CAS: 16215-21-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
16215-21-7
Multi CAS
No
Molecular Formula
C7H14O2S
Molecular Weight
162.250000
Exact Mass
162.071451
SMILES
CCCCOC(=O)CCS
InChI
InChI=1S/C7H14O2S/c1-2-3-5-9-7(8)4-6-10/h10H,2-6H2,1H3
InChIKey
MGFFVSDRCRVHLC-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.34
TPSA
26.3

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.6
Consensus LogP
1.57
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.54

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 Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (91.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (91.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (91.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501

Customers Also Viewed

Get In Touch

Contact Us