(4-iodo-2-sulfanylphenyl)methanol

C7H7IOS — CID 68991167

IUPAC(4-iodo-2-sulfanylphenyl)methanol
SMILESOCc1ccc(I)cc1S
InChIInChI=1S/C7H7IOS/c8-6-2-1-5(4-9)7(10)3-6/h1-3,9-10H,4H2
InChIKeyIGSAXIIBYCJPMU-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.07
Rot. Bonds1

About (4-iodo-2-sulfanylphenyl)methanol

(4-iodo-2-sulfanylphenyl)methanol (PubChem CID 68991167) has the molecular formula C7H7IOS and a molecular weight of 266.10 g/mol. Its IUPAC name is (4-iodo-2-sulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-iodo-2-sulfanylphenyl)methanol
PubChem CID68991167
Molecular FormulaC7H7IOS
Molecular Weight266.10 g/mol
Exact Mass265.93
IUPAC Name(4-iodo-2-sulfanylphenyl)methanol
SMILESOCc1ccc(I)cc1S
InChIInChI=1S/C7H7IOS/c8-6-2-1-5(4-9)7(10)3-6/h1-3,9-10H,4H2
InChIKeyIGSAXIIBYCJPMU-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-iodo-2-sulfanylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-iodo-3-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131219130
(5-amino-2-sulfanylphenyl)methanol
CID 123614701
CID 155601283
CID 155601283
2-(2-ethyl-4-iodophenyl)acetic acid
CID 91883775
CID 155601421
CID 155601421
[4-(aminomethyl)-2-(hydroxymethyl)phenyl]methanol
CID 23008874
[5-(hydroxymethyl)azulen-6-yl]methanol
CID 130131537
(3,4-difluoro-2-iodophenyl)methanol
CID 137378555
[4-(chloromethyl)-2-(hydroxymethyl)phenyl]methanol
CID 58348907
(2-methyl-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 131057346
[5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol
CID 22225995
2-chloro-1-ethyl-4-iodobenzene
CID 71044998

Frequently Asked Questions

What is the IUPAC name of (4-iodo-2-sulfanylphenyl)methanol?
The IUPAC name of (4-iodo-2-sulfanylphenyl)methanol (CID 68991167) is (4-iodo-2-sulfanylphenyl)methanol.
What is the SMILES notation for (4-iodo-2-sulfanylphenyl)methanol?
The canonical SMILES for (4-iodo-2-sulfanylphenyl)methanol is OCc1ccc(I)cc1S.
What is the InChIKey of (4-iodo-2-sulfanylphenyl)methanol?
The InChIKey is IGSAXIIBYCJPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IOS/c8-6-2-1-5(4-9)7(10)3-6/h1-3,9-10H,4H2.
What are the key properties of (4-iodo-2-sulfanylphenyl)methanol?
(4-iodo-2-sulfanylphenyl)methanol has a molecular weight of 266.10 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-2-sulfanylphenyl)methanol is sourced from PubChem (CID 68991167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).