CID 172777676

C6H8NaOS — CID 172777676

IUPAC—
SMILESCc1ccsc1CO.[Na]
InChIInChI=1S/C6H8OS.Na/c1-5-2-3-8-6(5)4-7;/h2-3,7H,4H2,1H3;
InChIKeyNVAWNSDBVGSKLU-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.17
Rot. Bonds1

About CID 172777676

CID 172777676 (PubChem CID 172777676) has the molecular formula C6H8NaOS and a molecular weight of 151.19 g/mol.

Molecular Properties

Compound NameCID 172777676
PubChem CID172777676
Molecular FormulaC6H8NaOS
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name—
SMILESCc1ccsc1CO.[Na]
InChIInChI=1S/C6H8OS.Na/c1-5-2-3-8-6(5)4-7;/h2-3,7H,4H2,1H3;
InChIKeyNVAWNSDBVGSKLU-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze CID 172777676 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-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
2-(bromomethyl)-3-methylthiophene
CID 18463526
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895
4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-ol
CID 79995429
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-ol
CID 115216990
[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
CID 103648607
N-methyl-2-(3-methylthiophen-2-yl)acetamide
CID 67628204
3-methyl-2-(methylsulfonylmethyl)thiophene
CID 86036540
2-(3-bromopropyl)-3-methylthiophene
CID 19688419

Frequently Asked Questions

What is the IUPAC name of CID 172777676?
The IUPAC name of CID 172777676 (CID 172777676) is not available.
What is the SMILES notation for CID 172777676?
The canonical SMILES for CID 172777676 is Cc1ccsc1CO.[Na].
What is the InChIKey of CID 172777676?
The InChIKey is NVAWNSDBVGSKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS.Na/c1-5-2-3-8-6(5)4-7;/h2-3,7H,4H2,1H3;.
What are the key properties of CID 172777676?
CID 172777676 has a molecular weight of 151.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172777676 is sourced from PubChem (CID 172777676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).