[email protected]
CAS 199915-38-3 FMOC ISOTHIOCYANATE molecular structure lightbox
CAS RN: 199915-38-3

FMOC ISOTHIOCYANATE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250228 1g In stock Inquiry
Batchno.20250602 250mg In stock Inquiry
Batchno.20260626 5g In stock Inquiry
  • Product code: SSC-094122
GET A QUOTE
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
Request Bulk Quote

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 199915-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

199915-38-3 / 9H-fluoren-9-ylmethyl N-(sulfanylidenemethylidene)carbamate

Standard CAS: 199915-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199915-38-3
Multi CAS
No
Molecular Formula
C16H11NO2S
Molecular Weight
281.300000
Exact Mass
281.051050
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N=C=S
InChI
InChI=1S/C16H11NO2S/c18-16(17-10-20)19-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9H2
InChIKey
DHMYULZVFHHEHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
80.1
TPSA
38.66

LogP / Solubility

WLOGP
4.04
MLOGP
3.56
XLogP3
5.1
Consensus LogP
4.23
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us