hydroxysulfanylmethylbenzene

C7H8OS — CID 15173738

IUPAChydroxysulfanylmethylbenzene
SMILESOSCc1ccccc1
InChIInChI=1S/C7H8OS/c8-9-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyPWRKXLBZLTYQGN-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.39
Rot. Bonds2

About hydroxysulfanylmethylbenzene

hydroxysulfanylmethylbenzene (PubChem CID 15173738) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is hydroxysulfanylmethylbenzene.

Molecular Properties

Compound Namehydroxysulfanylmethylbenzene
PubChem CID15173738
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Namehydroxysulfanylmethylbenzene
SMILESOSCc1ccccc1
InChIInChI=1S/C7H8OS/c8-9-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyPWRKXLBZLTYQGN-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxysulfanylmethylbenzene?
The IUPAC name of hydroxysulfanylmethylbenzene (CID 15173738) is hydroxysulfanylmethylbenzene.
What is the SMILES notation for hydroxysulfanylmethylbenzene?
The canonical SMILES for hydroxysulfanylmethylbenzene is OSCc1ccccc1.
What is the InChIKey of hydroxysulfanylmethylbenzene?
The InChIKey is PWRKXLBZLTYQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c8-9-6-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of hydroxysulfanylmethylbenzene?
hydroxysulfanylmethylbenzene has a molecular weight of 140.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxysulfanylmethylbenzene is sourced from PubChem (CID 15173738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).