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CAS 1209012-31-6 4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene molecular structure lightbox
CAS RN: 1209012-31-6

4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260415 100mg / 250mg / 1g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-022222
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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: ＞97%
  • 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 1209012-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1209012-31-6 / 5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene

4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene | 8,10-Dihydro-s-indaceno[1,2-b:6,7-b']dithiophene | 4,9-dihydro-s-indaceno[1,2-b

Standard CAS: 1209012-31-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209012-31-6
Multi CAS
No
Molecular Formula
C16H10S2
Molecular Weight
266.400000
Exact Mass
266.022393
SMILES
C1C2=C(C3=CC4=C(C=C31)C5=C(C4)C=CS5)SC=C2
InChI
InChI=1S/C16H10S2/c1-3-17-15-9(1)5-11-7-14-12(8-13(11)15)6-10-2-4-18-16(10)14/h1-4,7-8H,5-6H2
InChIKey
ZGQQWSXQDWUNDY-UHFFFAOYSA-N
Synonyms
4,9-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene 8,10-Dihydro-s-indaceno[1,2-b:6,7-b']dithiophene 4,9-dihydro-s-indaceno[1,2-b MFCD31560770 5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
78.68
TPSA
56.5000

LogP / Solubility

WLOGP
4.95
MLOGP
4.37
XLogP3
4.6
Consensus LogP
4.64
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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