hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene

C21H23O3S2- — CID 174726778

IUPAChydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene
SMILESCc1cc(C)c(-c2ccccc2-c2ccccc2)c(C)c1.O=S([O-])O.S
InChIInChI=1S/C21H20.H2O3S.H2S/c1-15-13-16(2)21(17(3)14-15)20-12-8-7-11-19(20)18-9-5-4-6-10-18;1-4(2)3;/h4-14H,1-3H3;(H2,1,2,3);1H2/p-1
InChIKeySUOANXNRBGBKKF-UHFFFAOYSA-M
MW387.55 g/mol
LogP5.40
Rot. Bonds2

About hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene

hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene (PubChem CID 174726778) has the molecular formula C21H23O3S2- and a molecular weight of 387.55 g/mol. Its IUPAC name is hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene.

Molecular Properties

Compound Namehydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene
PubChem CID174726778
Molecular FormulaC21H23O3S2-
Molecular Weight387.55 g/mol
Exact Mass387.11
IUPAC Namehydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene
SMILESCc1cc(C)c(-c2ccccc2-c2ccccc2)c(C)c1.O=S([O-])O.S
InChIInChI=1S/C21H20.H2O3S.H2S/c1-15-13-16(2)21(17(3)14-15)20-12-8-7-11-19(20)18-9-5-4-6-10-18;1-4(2)3;/h4-14H,1-3H3;(H2,1,2,3);1H2/p-1
InChIKeySUOANXNRBGBKKF-UHFFFAOYSA-M
XLogP5.40
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
4-phenyl-2,6-bis(2,4,6-trimethylphenyl)phenol
CID 140656741
bicyclo[2.2.0]hexa-1,3,5-triene;hydrogen sulfite;toluene
CID 174274545
3-phenylbenzene-1,2-diol;sulfurous acid
CID 174366785
2,6-bis(2,4,6-trimethylphenyl)benzoate
CID 102375892
hydrogen sulfite;toluene;hydrate
CID 69184571
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene
CID 101269053
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
2-methyl-6-phenylphenol
CID 12592481
4-methyl-2,6-diphenyl-3-(2,4,6-trimethylphenyl)benzenesulfonic acid
CID 87124199
9-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-10-(2,4,6-trimethylphenyl)anthracene
CID 58590120

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene?
The IUPAC name of hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene (CID 174726778) is hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene.
What is the SMILES notation for hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene?
The canonical SMILES for hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene is Cc1cc(C)c(-c2ccccc2-c2ccccc2)c(C)c1.O=S([O-])O.S.
What is the InChIKey of hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene?
The InChIKey is SUOANXNRBGBKKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20.H2O3S.H2S/c1-15-13-16(2)21(17(3)14-15)20-12-8-7-11-19(20)18-9-5-4-6-10-18;1-4(2)3;/h4-14H,1-3H3;(H2,1,2,3);1H2/p-1.
What are the key properties of hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene?
hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene has a molecular weight of 387.55 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;sulfane;1,3,5-trimethyl-2-(2-phenylphenyl)benzene is sourced from PubChem (CID 174726778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).