CID 10740828

C28H20S2 — CID 10740828

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21SCCSC12c1ccccc1-c1ccccc12
InChIInChI=1S/C28H20S2/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)28(30-18-17-29-27)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16H,17-18H2
InChIKeyGWTBGPQPOKZQFU-UHFFFAOYSA-N
MW420.60 g/mol
LogP7.31
Rot. Bonds

About CID 10740828

CID 10740828 (PubChem CID 10740828) has the molecular formula C28H20S2 and a molecular weight of 420.60 g/mol.

Molecular Properties

Compound NameCID 10740828
PubChem CID10740828
Molecular FormulaC28H20S2
Molecular Weight420.60 g/mol
Exact Mass420.10
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21SCCSC12c1ccccc1-c1ccccc12
InChIInChI=1S/C28H20S2/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)28(30-18-17-29-27)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16H,17-18H2
InChIKeyGWTBGPQPOKZQFU-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2'-(2-spiro[1,3-dithiolane-2,9'-fluorene]-2'-yloxyethoxy)spiro[1,3-dithiolane-2,9'-fluorene]
CID 102267885
spiro[1,3-dithiolane-2,9'-thioxanthene]
CID 11066133
10-methylidenespiro[anthracene-9,1'-cyclopropane]
CID 12648503
CID 58142464
CID 58142464
2,4-dithiaoctacyclo[11.6.6.65,12.01,5.06,11.014,19.020,25.026,31]hentriaconta-6,8,10,14,16,18,20,22,24,26,28,30-dodecaene
CID 101168678
1,1,3,3-tetramethylspiro[cyclobutane-2,9'-fluorene]
CID 153467797
9-(difluoromethyl)-9-methylfluorene
CID 138967571
(3'R)-3'-methylspiro[fluorene-9,2'-oxirane]
CID 101107078
CID 101264083
CID 101264083
(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]
CID 153440114
16,17-diiodohexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene
CID 11398112
ethane;9-fluoro-9-methylfluorene
CID 163249751

Frequently Asked Questions

What is the IUPAC name of CID 10740828?
The IUPAC name of CID 10740828 (CID 10740828) is not available.
What is the SMILES notation for CID 10740828?
The canonical SMILES for CID 10740828 is c1ccc2c(c1)-c1ccccc1C21SCCSC12c1ccccc1-c1ccccc12.
What is the InChIKey of CID 10740828?
The InChIKey is GWTBGPQPOKZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20S2/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)28(30-18-17-29-27)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16H,17-18H2.
What are the key properties of CID 10740828?
CID 10740828 has a molecular weight of 420.60 g/mol, XLogP of 7.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10740828 is sourced from PubChem (CID 10740828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).