methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane

C13H19NS2 — CID 139458732

IUPACmethyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane
SMILESCC(C)C1Cc2ccccc2CN1S(C)=S
InChIInChI=1S/C13H19NS2/c1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)16(3)15/h4-7,10,13H,8-9H2,1-3H3
InChIKeyZOZCZOOHAQVNSI-UHFFFAOYSA-N
MW253.44 g/mol
LogP2.69
Rot. Bonds2

About methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane

methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane (PubChem CID 139458732) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namemethyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane
PubChem CID139458732
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Namemethyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane
SMILESCC(C)C1Cc2ccccc2CN1S(C)=S
InChIInChI=1S/C13H19NS2/c1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)16(3)15/h4-7,10,13H,8-9H2,1-3H3
InChIKeyZOZCZOOHAQVNSI-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

(3S)-3-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 176811342
2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline
CID 21303286
ethane;2-methyl-3-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 177193029
2,3-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 23532958
1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)ethanethione
CID 88885145
3-propan-2-yl-3,4-dihydro-1H-isochromene
CID 130319433
(3R)-2-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 140914018
(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
CID 14548165
(3R)-3-ethyl-2-iodo-3,4-dihydro-1H-isoquinoline
CID 126732375
1-(1,3-dihydroisoindol-2-yl)-N-ethylpropan-2-amine
CID 62205194
(3R)-2-propan-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 51440812
2,3-di(propan-2-yl)-3,4-dihydro-1H-2,6-naphthyridine
CID 165372704

Frequently Asked Questions

What is the IUPAC name of methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane?
The IUPAC name of methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane (CID 139458732) is methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane.
What is the SMILES notation for methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane?
The canonical SMILES for methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane is CC(C)C1Cc2ccccc2CN1S(C)=S.
What is the InChIKey of methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane?
The InChIKey is ZOZCZOOHAQVNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)16(3)15/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane?
methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane has a molecular weight of 253.44 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 139458732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).