CID 14939272

C13H20S4 — CID 14939272

IUPAC—
SMILESCC12CCC(C3(C1)SCCS3)C1(C2)SCCS1
InChIInChI=1S/C13H20S4/c1-11-3-2-10(12(8-11)14-4-5-15-12)13(9-11)16-6-7-17-13/h10H,2-9H2,1H3
InChIKeyISRPDTDPXOGBIO-UHFFFAOYSA-N
MW304.57 g/mol
LogP4.55
Rot. Bonds

About CID 14939272

CID 14939272 (PubChem CID 14939272) has the molecular formula C13H20S4 and a molecular weight of 304.57 g/mol.

Molecular Properties

Compound NameCID 14939272
PubChem CID14939272
Molecular FormulaC13H20S4
Molecular Weight304.57 g/mol
Exact Mass304.04
IUPAC Name—
SMILESCC12CCC(C3(C1)SCCS3)C1(C2)SCCS1
InChIInChI=1S/C13H20S4/c1-11-3-2-10(12(8-11)14-4-5-15-12)13(9-11)16-6-7-17-13/h10H,2-9H2,1H3
InChIKeyISRPDTDPXOGBIO-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8S,9S)-8-(1,3-dithiolan-2-ylmethyl)-9-methyl-1,4-dithiaspiro[4.4]nonane
CID 10851229
(4aR,8aR)-8a-methylspiro[1,2,3,4a,5,8-hexahydronaphthalene-4,2'-1,3-dithiolane]
CID 53254807
CID 102308342
CID 102308342
(2aS,4aR,8aS)-2,2,4a-trimethyl-1,2a,3,4,6,7-hexahydrocyclobuta[i]indene-5,8-dione
CID 6558361
[(1S,9aR)-spiro[1,3,4,6,7,8,9,9a-octahydroquinolizine-2,2'-1,3-dithiolane]-1-yl]methanol
CID 50940530
5-(2-methylthiolan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 81451840
ethane;1-methylbicyclo[2.2.1]heptane
CID 164557496
6,6-dimethylthian-3-amine
CID 59657956
3,3,7-trimethyltricyclo[5.3.2.04,11]dodecan-11-ol
CID 14263134
4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane
CID 164646754
11-methoxy-3,3,7-trimethyltricyclo[5.3.2.04,11]dodecane
CID 14263132
1,4-dimethylbicyclo[2.1.1]hexane;bis(1,4-dimethylbicyclo[2.2.2]octane);1,3-dimethylbicyclo[1.1.1]pentane;1,4-dimethylcubane
CID 167594424

Frequently Asked Questions

What is the IUPAC name of CID 14939272?
The IUPAC name of CID 14939272 (CID 14939272) is not available.
What is the SMILES notation for CID 14939272?
The canonical SMILES for CID 14939272 is CC12CCC(C3(C1)SCCS3)C1(C2)SCCS1.
What is the InChIKey of CID 14939272?
The InChIKey is ISRPDTDPXOGBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S4/c1-11-3-2-10(12(8-11)14-4-5-15-12)13(9-11)16-6-7-17-13/h10H,2-9H2,1H3.
What are the key properties of CID 14939272?
CID 14939272 has a molecular weight of 304.57 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14939272 is sourced from PubChem (CID 14939272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).