CID 174748281

C6H6BO2S — CID 174748281

IUPAC—
SMILESC=CO[B]Oc1ccsc1
InChIInChI=1S/C6H6BO2S/c1-2-8-7-9-6-3-4-10-5-6/h2-5H,1H2
InChIKeyHBLULBADPNUASA-UHFFFAOYSA-N
MW152.99 g/mol
LogP1.82
Rot. Bonds4

About CID 174748281

CID 174748281 (PubChem CID 174748281) has the molecular formula C6H6BO2S and a molecular weight of 152.99 g/mol.

Molecular Properties

Compound NameCID 174748281
PubChem CID174748281
Molecular FormulaC6H6BO2S
Molecular Weight152.99 g/mol
Exact Mass153.02
IUPAC Name—
SMILESC=CO[B]Oc1ccsc1
InChIInChI=1S/C6H6BO2S/c1-2-8-7-9-6-3-4-10-5-6/h2-5H,1H2
InChIKeyHBLULBADPNUASA-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.99
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 174748281 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

3-prop-2-enoxythiophene
CID 13277932
CID 175360546
CID 175360546
thiophen-3-yl N-prop-2-enoylcarbamate
CID 59502696
3-(2-ethenoxyethyl)thiophene
CID 70162385
trithiophen-3-yl borate
CID 69352648
ethane;3-methoxythiophene
CID 143563257
lithium;hydride;thiophen-3-yl acetate
CID 175236484
3-[2-(2-thiophen-3-yloxyethoxy)ethoxy]thiophene
CID 11108420
thiophen-3-yloxymethanesulfonic acid
CID 139766978
methyl 2-chloro-2-thiophen-3-yloxyacetate
CID 57086770
ethyl thiophen-3-yl sulfate
CID 135236003
3-thiophen-3-yloxyoxetane
CID 141476124

Frequently Asked Questions

What is the IUPAC name of CID 174748281?
The IUPAC name of CID 174748281 (CID 174748281) is not available.
What is the SMILES notation for CID 174748281?
The canonical SMILES for CID 174748281 is C=CO[B]Oc1ccsc1.
What is the InChIKey of CID 174748281?
The InChIKey is HBLULBADPNUASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BO2S/c1-2-8-7-9-6-3-4-10-5-6/h2-5H,1H2.
What are the key properties of CID 174748281?
CID 174748281 has a molecular weight of 152.99 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174748281 is sourced from PubChem (CID 174748281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).