(2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene

C25H20OS — CID 164681205

IUPAC(2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene
SMILESc1ccc([C@@H]2C[C@H](Sc3cccc4ccccc34)Oc3ccccc32)cc1
InChIInChI=1S/C25H20OS/c1-2-9-19(10-3-1)22-17-25(26-23-15-7-6-14-21(22)23)27-24-16-8-12-18-11-4-5-13-20(18)24/h1-16,22,25H,17H2/t22-,25-/m0/s1
InChIKeyOVBMIFNZPZRWSD-DHLKQENFSA-N
MW368.50 g/mol
LogP6.87
Rot. Bonds3

About (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene

(2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene (PubChem CID 164681205) has the molecular formula C25H20OS and a molecular weight of 368.50 g/mol. Its IUPAC name is (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene
PubChem CID164681205
Molecular FormulaC25H20OS
Molecular Weight368.50 g/mol
Exact Mass368.12
IUPAC Name(2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene
SMILESc1ccc([C@@H]2C[C@H](Sc3cccc4ccccc34)Oc3ccccc32)cc1
InChIInChI=1S/C25H20OS/c1-2-9-19(10-3-1)22-17-25(26-23-15-7-6-14-21(22)23)27-24-16-8-12-18-11-4-5-13-20(18)24/h1-16,22,25H,17H2/t22-,25-/m0/s1
InChIKeyOVBMIFNZPZRWSD-DHLKQENFSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxy-4-(4-methoxyphenyl)sulfanyl-naphthalene
CID 16226418
3-(Allyloxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin
CID 3033716
(R)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-1-en-3-yl)(naphthalen-2-yl)sulfane
CID 162623309
(Z)-(5-(4-(benzyloxy)phenyl)-1,1-difluoropent-2-en-2-yl)(naphthalen-2-yl)sulfane
CID 162623335
2-Phenyl thiochromane
CID 12936841
Spiro[naphtho[2,1-b]pyran-3,9'-thioxanthene]
CID 19084324
Thiodinaphthyloxyd
CID 129641205
9-(4-Methoxyphenyl)sulfanylanthracene
CID 134961540
1-(2-((10-((2-(1-Naphthyloxy)ethyl)thio)decyl)thio)ethoxy)naphthalene
CID 371304
Bis(4-methoxynaphthalen-1-yl)-(2,2,2-trifluoroethyl)sulfanium
CID 58332371
CID 58534128
CID 58534128
1-[2-[(4-Methoxy-3-methylphenyl)sulfanylmethyl]-3-[4-(trifluoromethyl)phenoxy]prop-1-enyl]naphthalene
CID 70657660

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene (CID 164681205) is (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene is c1ccc([C@@H]2C[C@H](Sc3cccc4ccccc34)Oc3ccccc32)cc1.
What is the InChIKey of (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is OVBMIFNZPZRWSD-DHLKQENFSA-N. The full InChI is InChI=1S/C25H20OS/c1-2-9-19(10-3-1)22-17-25(26-23-15-7-6-14-21(22)23)27-24-16-8-12-18-11-4-5-13-20(18)24/h1-16,22,25H,17H2/t22-,25-/m0/s1.
What are the key properties of (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene?
(2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 368.50 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-naphthalen-1-ylsulfanyl-4-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 164681205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).