1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene

C18H18S2 — CID 87179409

IUPAC1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene
SMILESc1ccc(C2CC2)c(SSc2ccccc2C2CC2)c1
InChIInChI=1S/C18H18S2/c1-3-7-17(15(5-1)13-9-10-13)19-20-18-8-4-2-6-16(18)14-11-12-14/h1-8,13-14H,9-12H2
InChIKeyLDKFIZLOQSDHKN-UHFFFAOYSA-N
MW298.48 g/mol
LogP6.24
Rot. Bonds5

About 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene

1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene (PubChem CID 87179409) has the molecular formula C18H18S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene
PubChem CID87179409
Molecular FormulaC18H18S2
Molecular Weight298.48 g/mol
Exact Mass298.08
IUPAC Name1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene
SMILESc1ccc(C2CC2)c(SSc2ccccc2C2CC2)c1
InChIInChI=1S/C18H18S2/c1-3-7-17(15(5-1)13-9-10-13)19-20-18-8-4-2-6-16(18)14-11-12-14/h1-8,13-14H,9-12H2
InChIKeyLDKFIZLOQSDHKN-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.48
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 77652
CID 77652
CID 76186
CID 76186
CID 292755
CID 292755
CID 2760413
CID 2760413
CID 10917683
CID 10917683
CID 91969
CID 91969
CID 268517
CID 268517
CID 83618
CID 83618
CID 6452015
CID 6452015
CID 5257210
CID 5257210
CID 5255687
CID 5255687
CID 103161
CID 103161

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene?
The IUPAC name of 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene (CID 87179409) is 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene.
What is the SMILES notation for 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene?
The canonical SMILES for 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene is c1ccc(C2CC2)c(SSc2ccccc2C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene?
The InChIKey is LDKFIZLOQSDHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S2/c1-3-7-17(15(5-1)13-9-10-13)19-20-18-8-4-2-6-16(18)14-11-12-14/h1-8,13-14H,9-12H2.
What are the key properties of 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene?
1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene has a molecular weight of 298.48 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-cyclopropylphenyl)disulfanyl]benzene is sourced from PubChem (CID 87179409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).