benzenethiol;ethane;4-methylbenzenethiol

C15H20S2 — CID 144560916

IUPACbenzenethiol;ethane;4-methylbenzenethiol
SMILESCC.Cc1ccc(S)cc1.Sc1ccccc1
InChIInChI=1S/C7H8S.C6H6S.C2H6/c1-6-2-4-7(8)5-3-6;7-6-4-2-1-3-5-6;1-2/h2-5,8H,1H3;1-5,7H;1-2H3
InChIKeyYHLKIBKVVFGILR-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.29
Rot. Bonds

About benzenethiol;ethane;4-methylbenzenethiol

benzenethiol;ethane;4-methylbenzenethiol (PubChem CID 144560916) has the molecular formula C15H20S2 and a molecular weight of 264.46 g/mol. Its IUPAC name is benzenethiol;ethane;4-methylbenzenethiol.

Molecular Properties

Compound Namebenzenethiol;ethane;4-methylbenzenethiol
PubChem CID144560916
Molecular FormulaC15H20S2
Molecular Weight264.46 g/mol
Exact Mass264.10
IUPAC Namebenzenethiol;ethane;4-methylbenzenethiol
SMILESCC.Cc1ccc(S)cc1.Sc1ccccc1
InChIInChI=1S/C7H8S.C6H6S.C2H6/c1-6-2-4-7(8)5-3-6;7-6-4-2-1-3-5-6;1-2/h2-5,8H,1H3;1-5,7H;1-2H3
InChIKeyYHLKIBKVVFGILR-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzenethiol;ethane;4-methylbenzenethiol?
The IUPAC name of benzenethiol;ethane;4-methylbenzenethiol (CID 144560916) is benzenethiol;ethane;4-methylbenzenethiol.
What is the SMILES notation for benzenethiol;ethane;4-methylbenzenethiol?
The canonical SMILES for benzenethiol;ethane;4-methylbenzenethiol is CC.Cc1ccc(S)cc1.Sc1ccccc1.
What is the InChIKey of benzenethiol;ethane;4-methylbenzenethiol?
The InChIKey is YHLKIBKVVFGILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S.C6H6S.C2H6/c1-6-2-4-7(8)5-3-6;7-6-4-2-1-3-5-6;1-2/h2-5,8H,1H3;1-5,7H;1-2H3.
What are the key properties of benzenethiol;ethane;4-methylbenzenethiol?
benzenethiol;ethane;4-methylbenzenethiol has a molecular weight of 264.46 g/mol, XLogP of 5.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiol;ethane;4-methylbenzenethiol is sourced from PubChem (CID 144560916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).