7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane

C12H18S2 — CID 121384557

IUPAC7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane
SMILESC1CC2SC3C4CCCC4SC3C2C1
InChIInChI=1S/C12H18S2/c1-3-7-9(5-1)13-12-8-4-2-6-10(8)14-11(7)12/h7-12H,1-6H2
InChIKeyMFJPGNFCPJAWTQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.55
Rot. Bonds

About 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane

7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane (PubChem CID 121384557) has the molecular formula C12H18S2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane.

Molecular Properties

Compound Name7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane
PubChem CID121384557
Molecular FormulaC12H18S2
Molecular Weight226.41 g/mol
Exact Mass226.08
IUPAC Name7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane
SMILESC1CC2SC3C4CCCC4SC3C2C1
InChIInChI=1S/C12H18S2/c1-3-7-9(5-1)13-12-8-4-2-6-10(8)14-11(7)12/h7-12H,1-6H2
InChIKeyMFJPGNFCPJAWTQ-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Thiatricyclo[6.3.0.02,6]undecane
CID 58594501
3,10,17-Trithiapentacyclo[9.6.0.02,9.04,8.012,16]heptadecane
CID 121384558
4,6-diethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene;4,6-diethyl-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene
CID 123815753
2,9,16-Trithiapentacyclo[8.7.1.01,8.03,7.011,15]octadecane
CID 134185934
(1R,2R,6R)-7-thiatricyclo[6.3.0.02,6]undecane
CID 141825736
CID 145839160
CID 145839160
(1S,2S,6S,8S)-7-thiatricyclo[6.3.0.02,6]undecane
CID 131851241
3,11-Dithiatricyclo[6.3.0.02,6]undecane
CID 145839161

Frequently Asked Questions

What is the IUPAC name of 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane?
The IUPAC name of 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane (CID 121384557) is 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane.
What is the SMILES notation for 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane?
The canonical SMILES for 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane is C1CC2SC3C4CCCC4SC3C2C1.
What is the InChIKey of 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane?
The InChIKey is MFJPGNFCPJAWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S2/c1-3-7-9(5-1)13-12-8-4-2-6-10(8)14-11(7)12/h7-12H,1-6H2.
What are the key properties of 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane?
7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane has a molecular weight of 226.41 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradecane is sourced from PubChem (CID 121384557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).