1-pentadecyl-2-propan-2-ylbenzene;sulfane

C24H44S — CID 174904763

IUPAC1-pentadecyl-2-propan-2-ylbenzene;sulfane
SMILESCCCCCCCCCCCCCCCc1ccccc1C(C)C.S
InChIInChI=1S/C24H42.H2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-18-21-24(23)22(2)3;/h17-18,20-22H,4-16,19H2,1-3H3;1H2
InChIKeyUOVWXDNUQWRPFD-UHFFFAOYSA-N
MW364.68 g/mol
LogP8.56
Rot. Bonds15

About 1-pentadecyl-2-propan-2-ylbenzene;sulfane

1-pentadecyl-2-propan-2-ylbenzene;sulfane (PubChem CID 174904763) has the molecular formula C24H44S and a molecular weight of 364.68 g/mol. Its IUPAC name is 1-pentadecyl-2-propan-2-ylbenzene;sulfane.

Molecular Properties

Compound Name1-pentadecyl-2-propan-2-ylbenzene;sulfane
PubChem CID174904763
Molecular FormulaC24H44S
Molecular Weight364.68 g/mol
Exact Mass364.32
IUPAC Name1-pentadecyl-2-propan-2-ylbenzene;sulfane
SMILESCCCCCCCCCCCCCCCc1ccccc1C(C)C.S
InChIInChI=1S/C24H42.H2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-18-21-24(23)22(2)3;/h17-18,20-22H,4-16,19H2,1-3H3;1H2
InChIKeyUOVWXDNUQWRPFD-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.68
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
1-(difluoromethyl)-2-pentylbenzene
CID 162568517
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
1,2-dihexylbenzene;hydrate
CID 172833093
1-ethyl-2-hexyl-3-propan-2-ylbenzene
CID 141013898
5-(2-propan-2-ylphenyl)pentanenitrile
CID 141013076

Frequently Asked Questions

What is the IUPAC name of 1-pentadecyl-2-propan-2-ylbenzene;sulfane?
The IUPAC name of 1-pentadecyl-2-propan-2-ylbenzene;sulfane (CID 174904763) is 1-pentadecyl-2-propan-2-ylbenzene;sulfane.
What is the SMILES notation for 1-pentadecyl-2-propan-2-ylbenzene;sulfane?
The canonical SMILES for 1-pentadecyl-2-propan-2-ylbenzene;sulfane is CCCCCCCCCCCCCCCc1ccccc1C(C)C.S.
What is the InChIKey of 1-pentadecyl-2-propan-2-ylbenzene;sulfane?
The InChIKey is UOVWXDNUQWRPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42.H2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-18-21-24(23)22(2)3;/h17-18,20-22H,4-16,19H2,1-3H3;1H2.
What are the key properties of 1-pentadecyl-2-propan-2-ylbenzene;sulfane?
1-pentadecyl-2-propan-2-ylbenzene;sulfane has a molecular weight of 364.68 g/mol, XLogP of 8.56, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-2-propan-2-ylbenzene;sulfane is sourced from PubChem (CID 174904763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).