12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene

C14H14S2 — CID 603823

IUPAC12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
SMILESCC1SCc2cccc3cccc(c23)CS1
InChIInChI=1S/C14H14S2/c1-10-15-8-12-6-2-4-11-5-3-7-13(9-16-10)14(11)12/h2-7,10H,8-9H2,1H3
InChIKeyHIKIVDWONDOWPT-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.67
Rot. Bonds

About 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene

12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene (PubChem CID 603823) has the molecular formula C14H14S2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene.

Molecular Properties

Compound Name12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
PubChem CID603823
Molecular FormulaC14H14S2
Molecular Weight246.40 g/mol
Exact Mass246.05
IUPAC Name12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
SMILESCC1SCc2cccc3cccc(c23)CS1
InChIInChI=1S/C14H14S2/c1-10-15-8-12-6-2-4-11-5-3-7-13(9-16-10)14(11)12/h2-7,10H,8-9H2,1H3
InChIKeyHIKIVDWONDOWPT-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene with MolForge

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Related Compounds

1,2-dihydroacenaphthylene
CID 161018660
3-methyl-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 177264468
1,2-dihydroacenaphthylene;perylene
CID 157201241
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
N-propan-2-yl-2,3-dihydro-1H-phenalen-2-amine
CID 70389017
2,2-dichloro-1,3-dihydrophenalene
CID 174423090
12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 101178463
26,27-dimethyl-9-thiahexacyclo[15.7.1.13,7.111,15.02,16.021,25]heptacosa-1(24),2(16),3,5,7(27),11(26),12,14,17,19,21(25),22-dodecaene
CID 10786629
1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516
3-methyl-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82885566
3-methyltetracyclo[7.3.1.02,4.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 86129150
methane;2-methyl-2,3-dihydro-1H-indene
CID 142040721

Frequently Asked Questions

What is the IUPAC name of 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The IUPAC name of 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene (CID 603823) is 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene.
What is the SMILES notation for 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The canonical SMILES for 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene is CC1SCc2cccc3cccc(c23)CS1.
What is the InChIKey of 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The InChIKey is HIKIVDWONDOWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S2/c1-10-15-8-12-6-2-4-11-5-3-7-13(9-16-10)14(11)12/h2-7,10H,8-9H2,1H3.
What are the key properties of 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene has a molecular weight of 246.40 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene is sourced from PubChem (CID 603823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).