[(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene

C26H26S — CID 132915328

IUPAC[(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene
SMILESC[C@@]1([C@@]2(C)C[C@@H]2c2ccccc2)[C@H](Sc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H26S/c1-25(18-22(25)19-12-6-3-7-13-19)26(2)23(20-14-8-4-9-15-20)24(26)27-21-16-10-5-11-17-21/h3-17,22-24H,18H2,1-2H3/t22-,23+,24-,25+,26+/m1/s1
InChIKeyRKVDURMQDDEUPW-NRWDCXGPSA-N
MW370.56 g/mol
LogP7.14
Rot. Bonds5

About [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene

[(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene (PubChem CID 132915328) has the molecular formula C26H26S and a molecular weight of 370.56 g/mol. Its IUPAC name is [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene.

Molecular Properties

Compound Name[(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene
PubChem CID132915328
Molecular FormulaC26H26S
Molecular Weight370.56 g/mol
Exact Mass370.18
IUPAC Name[(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene
SMILESC[C@@]1([C@@]2(C)C[C@@H]2c2ccccc2)[C@H](Sc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H26S/c1-25(18-22(25)19-12-6-3-7-13-19)26(2)23(20-14-8-4-9-15-20)24(26)27-21-16-10-5-11-17-21/h3-17,22-24H,18H2,1-2H3/t22-,23+,24-,25+,26+/m1/s1
InChIKeyRKVDURMQDDEUPW-NRWDCXGPSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene with MolForge

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Related Compounds

[(1S,2S,3S)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene
CID 132915327
[(1S,2R,3R)-2-methyl-2-[(1R,2R,3R)-2-methyl-2-[(1R,2S)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene
CID 132915333
(2-bromo-2-methylcyclopropyl)sulfanylbenzene
CID 595999
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
2,2-dimethyl-3-phenylsulfanyloxirane
CID 87987628
2,4,4-trimethyl-3-phenyloxolane
CID 78139308
(3R,4S)-3-methyl-4-phenylsulfanyl-1-oxaspiro[4.6]undecane
CID 11076707
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
CID 124794227
1,1-dimethyl-2-phenylsulfanylsilolane
CID 11096198

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene?
The IUPAC name of [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene (CID 132915328) is [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene.
What is the SMILES notation for [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene?
The canonical SMILES for [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene is C[C@@]1([C@@]2(C)C[C@@H]2c2ccccc2)[C@H](Sc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene?
The InChIKey is RKVDURMQDDEUPW-NRWDCXGPSA-N. The full InChI is InChI=1S/C26H26S/c1-25(18-22(25)19-12-6-3-7-13-19)26(2)23(20-14-8-4-9-15-20)24(26)27-21-16-10-5-11-17-21/h3-17,22-24H,18H2,1-2H3/t22-,23+,24-,25+,26+/m1/s1.
What are the key properties of [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene?
[(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene has a molecular weight of 370.56 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-2-methyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-3-phenylcyclopropyl]sulfanylbenzene is sourced from PubChem (CID 132915328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).