methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate

C18H25NO2S2 — CID 10712933

IUPACmethyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate
SMILESCSC(=S)[C@@]1(OC(=O)N(C(C)C)C(C)C)CCc2ccccc21
InChIInChI=1S/C18H25NO2S2/c1-12(2)19(13(3)4)17(20)21-18(16(22)23-5)11-10-14-8-6-7-9-15(14)18/h6-9,12-13H,10-11H2,1-5H3/t18-/m1/s1
InChIKeyUBABDQUUSUUIGJ-GOSISDBHSA-N
MW351.54 g/mol
LogP4.77
Rot. Bonds4

About methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate

methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate (PubChem CID 10712933) has the molecular formula C18H25NO2S2 and a molecular weight of 351.54 g/mol. Its IUPAC name is methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate.

Molecular Properties

Compound Namemethyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate
PubChem CID10712933
Molecular FormulaC18H25NO2S2
Molecular Weight351.54 g/mol
Exact Mass351.13
IUPAC Namemethyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate
SMILESCSC(=S)[C@@]1(OC(=O)N(C(C)C)C(C)C)CCc2ccccc21
InChIInChI=1S/C18H25NO2S2/c1-12(2)19(13(3)4)17(20)21-18(16(22)23-5)11-10-14-8-6-7-9-15(14)18/h6-9,12-13H,10-11H2,1-5H3/t18-/m1/s1
InChIKeyUBABDQUUSUUIGJ-GOSISDBHSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate
CID 10669993
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
1-propan-2-yloxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 114991852
propan-2-yl 2',2'-dimethylspiro[1,2-dihydroindene-3,3'-cyclopropane]-1'-carboxylate
CID 90361309
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112
1-methylsulfanyl-2,3-dihydroindene-1-carboxylic acid
CID 82235218
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
(1-propan-2-yl-2,3-dihydroinden-1-yl) piperidine-1-carboxylate
CID 170530209
(1-methylspiro[3,4-dihydronaphthalene-2,1'-cyclohexane]-1-yl) 2-methylpropanoate
CID 90246880
methyl 2'-oxospiro[1,2-dihydroindene-3,4'-cyclopentane]-1'-carboxylate
CID 167092641
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
propan-2-yl (2S)-2-hydroxy-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 162401307

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate?
The IUPAC name of methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate (CID 10712933) is methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate.
What is the SMILES notation for methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate?
The canonical SMILES for methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate is CSC(=S)[C@@]1(OC(=O)N(C(C)C)C(C)C)CCc2ccccc21.
What is the InChIKey of methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate?
The InChIKey is UBABDQUUSUUIGJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25NO2S2/c1-12(2)19(13(3)4)17(20)21-18(16(22)23-5)11-10-14-8-6-7-9-15(14)18/h6-9,12-13H,10-11H2,1-5H3/t18-/m1/s1.
What are the key properties of methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate?
methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate has a molecular weight of 351.54 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-[di(propan-2-yl)carbamoyloxy]-2,3-dihydroindene-1-carbodithioate is sourced from PubChem (CID 10712933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).