2-[1-(sulfanylmethyl)cyclopropyl]phenol

C10H12OS — CID 115015755

IUPAC2-[1-(sulfanylmethyl)cyclopropyl]phenol
SMILESOc1ccccc1C1(CS)CC1
InChIInChI=1S/C10H12OS/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4,11-12H,5-7H2
InChIKeyRUWDZIWQJNJYEE-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.35
Rot. Bonds2

About 2-[1-(sulfanylmethyl)cyclopropyl]phenol

2-[1-(sulfanylmethyl)cyclopropyl]phenol (PubChem CID 115015755) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-[1-(sulfanylmethyl)cyclopropyl]phenol.

Molecular Properties

Compound Name2-[1-(sulfanylmethyl)cyclopropyl]phenol
PubChem CID115015755
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name2-[1-(sulfanylmethyl)cyclopropyl]phenol
SMILESOc1ccccc1C1(CS)CC1
InChIInChI=1S/C10H12OS/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4,11-12H,5-7H2
InChIKeyRUWDZIWQJNJYEE-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.35
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 2-[1-(sulfanylmethyl)cyclopropyl]phenol?
The IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]phenol (CID 115015755) is 2-[1-(sulfanylmethyl)cyclopropyl]phenol.
What is the SMILES notation for 2-[1-(sulfanylmethyl)cyclopropyl]phenol?
The canonical SMILES for 2-[1-(sulfanylmethyl)cyclopropyl]phenol is Oc1ccccc1C1(CS)CC1.
What is the InChIKey of 2-[1-(sulfanylmethyl)cyclopropyl]phenol?
The InChIKey is RUWDZIWQJNJYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4,11-12H,5-7H2.
What are the key properties of 2-[1-(sulfanylmethyl)cyclopropyl]phenol?
2-[1-(sulfanylmethyl)cyclopropyl]phenol has a molecular weight of 180.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(sulfanylmethyl)cyclopropyl]phenol is sourced from PubChem (CID 115015755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).