(4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane

C19H34S — CID 155574033

IUPAC(4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane
SMILESCC1=CC=C2CC(S(C)(C)C(C)(C)C)CCC2(C)C1C
InChIInChI=1S/C19H34S/c1-14-9-10-16-13-17(20(7,8)18(3,4)5)11-12-19(16,6)15(14)2/h9-10,15,17H,11-13H2,1-8H3
InChIKeyWUTLQZKKVBEWGX-UHFFFAOYSA-N
MW294.55 g/mol
LogP5.93
Rot. Bonds1

About (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane

(4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane (PubChem CID 155574033) has the molecular formula C19H34S and a molecular weight of 294.55 g/mol. Its IUPAC name is (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name(4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane
PubChem CID155574033
Molecular FormulaC19H34S
Molecular Weight294.55 g/mol
Exact Mass294.24
IUPAC Name(4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane
SMILESCC1=CC=C2CC(S(C)(C)C(C)(C)C)CCC2(C)C1C
InChIInChI=1S/C19H34S/c1-14-9-10-16-13-17(20(7,8)18(3,4)5)11-12-19(16,6)15(14)2/h9-10,15,17H,11-13H2,1-8H3
InChIKeyWUTLQZKKVBEWGX-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.55
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane?
The IUPAC name of (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane (CID 155574033) is (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane.
What is the SMILES notation for (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane?
The canonical SMILES for (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane is CC1=CC=C2CC(S(C)(C)C(C)(C)C)CCC2(C)C1C.
What is the InChIKey of (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane?
The InChIKey is WUTLQZKKVBEWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34S/c1-14-9-10-16-13-17(20(7,8)18(3,4)5)11-12-19(16,6)15(14)2/h9-10,15,17H,11-13H2,1-8H3.
What are the key properties of (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane?
(4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane has a molecular weight of 294.55 g/mol, XLogP of 5.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4a,5,6-trimethyl-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)-tert-butyl-dimethyl-λ4-sulfane is sourced from PubChem (CID 155574033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).