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CAS 33877-16-6 (R)-1-Phenylethanethiol molecular structure lightbox
CAS RN: 33877-16-6

(R)-1-Phenylethanethiol

  • Product code: SSC-140041
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 33877-16-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

33877-16-6 / 1-phenylethanethiol

Standard CAS: 33877-16-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
33877-16-6
Multi CAS
Yes
Molecular Formula
C8H10S
Molecular Weight
138.230000
Exact Mass
138.050321
InChI
InChI=1S/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
InChIKey
QZZBJCFNHPYNKO-SSDOTTSWSA-N

Physical Properties

Density
1.017-1.021
Physical Description
Yellow oily liquid; Meat-like, pungent odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.84
TPSA
1.0000

LogP / Solubility

WLOGP
2.68
MLOGP
2.35
XLogP3
2.4
Consensus LogP
2.48
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-1.66

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
2

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