[email protected]
CAS 7774-74-5 2-Thiophenethiol molecular structure lightbox
CAS RN: 7774-74-5

2-Thiophenethiol

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250805 100g In stock Shanghai Inquiry
Batchno.20250920 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251120 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250615 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20250705 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTT1680
  • Purity/Analytical Methods: >97.0%(T)
GET A QUOTE

7774-74-5 / thiophene-2-thiol

Standard CAS: 7774-74-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7774-74-5
Multi CAS
Yes
Molecular Formula
C4H4S2
Molecular Weight
116.200000
Exact Mass
115.975442
InChI
InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5H
InChIKey
SWEDAZLCYJDAGW-UHFFFAOYSA-N

Physical Properties

Boiling Point
166.00 °C. @ 760.00 mm Hg
Density
1.250-1.255
Physical Description
Liquid Oily, colourless to orange liquid; powerful, sulferaceous, burnt-caramel, roasted-coffee odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.57
TPSA
29.2000

LogP / Solubility

WLOGP
2.04
MLOGP
1.78
XLogP3
2.2
Consensus LogP
2.01
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
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)
-1.98

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

Customers Also Viewed

Get In Touch

Contact Us