[email protected]
CAS 102696-70-8 3-(3-methylthiophen-2-yl)prop-2-enoic acid molecular structure lightbox
CAS RN: 102696-70-8

3-(3-methylthiophen-2-yl)prop-2-enoic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-004005
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 10
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 102696-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g -- 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Beijing Inquiry
25g -- 1 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry

102696-70-8 / (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid

Bionet2_001061 | (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid | SCHEMBL5283646

Standard CAS: 102696-70-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102696-70-8
Multi CAS
Yes
Molecular Formula
C8H8O2S
Molecular Weight
168.210000
Exact Mass
168.024501
SMILES
CC1=C(SC=C1)/C=C/C(=O)O
InChI
InChI=1S/C8H8O2S/c1-6-4-5-11-7(6)2-3-8(9)10/h2-5H,1H3,(H,9,10)/b3-2+
InChIKey
AUFDGOVNVKDTEB-NSCUHMNNSA-N
Synonyms
Bionet2_001061 (E)-3-(3-methylthiophen-2-yl)prop-2-enoic acid SCHEMBL5283646 AUFDGOVNVKDTEB-UHFFFAOYSA-N CEA69670

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.73
TPSA
37.3

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.22

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
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

Customers Also Viewed

Get In Touch

Contact Us