CID 145167910

C21H20S — CID 145167910

IUPAC—
SMILESCS1(C)C2(C=Cc3ccccc32)CC12C=Cc1ccccc12
InChIInChI=1S/C21H20S/c1-22(2)20(13-11-16-7-3-5-9-18(16)20)15-21(22)14-12-17-8-4-6-10-19(17)21/h3-14H,15H2,1-2H3
InChIKeySNWQKODRGOWALO-UHFFFAOYSA-N
MW304.46 g/mol
LogP5.30
Rot. Bonds

About CID 145167910

CID 145167910 (PubChem CID 145167910) has the molecular formula C21H20S and a molecular weight of 304.46 g/mol.

Molecular Properties

Compound NameCID 145167910
PubChem CID145167910
Molecular FormulaC21H20S
Molecular Weight304.46 g/mol
Exact Mass304.13
IUPAC Name—
SMILESCS1(C)C2(C=Cc3ccccc32)CC12C=Cc1ccccc12
InChIInChI=1S/C21H20S/c1-22(2)20(13-11-16-7-3-5-9-18(16)20)15-21(22)14-12-17-8-4-6-10-19(17)21/h3-14H,15H2,1-2H3
InChIKeySNWQKODRGOWALO-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.46
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 145167910 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

CID 145167909
CID 145167909
1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330
1,1'-spirobi[2H-naphthalene]
CID 158698330
dichloro-(1-methylinden-1-yl)borane
CID 135083238
(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
1-methoxyinden-1-ol
CID 22755553
trimethyl-(1-trimethylstannylinden-1-yl)silane
CID 15492438
2-(1-methoxyinden-1-yl)acetic acid
CID 13445754
2,6-bis(1-methylinden-1-yl)pyridine
CID 139415880
1-(1-piperidin-1-ylinden-1-yl)piperidine
CID 70611963
1-methoxy-2H-naphthalen-1-amine
CID 141164754
(1-methyl-2H-naphthalen-1-yl)methanamine
CID 71302086

Frequently Asked Questions

What is the IUPAC name of CID 145167910?
The IUPAC name of CID 145167910 (CID 145167910) is not available.
What is the SMILES notation for CID 145167910?
The canonical SMILES for CID 145167910 is CS1(C)C2(C=Cc3ccccc32)CC12C=Cc1ccccc12.
What is the InChIKey of CID 145167910?
The InChIKey is SNWQKODRGOWALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20S/c1-22(2)20(13-11-16-7-3-5-9-18(16)20)15-21(22)14-12-17-8-4-6-10-19(17)21/h3-14H,15H2,1-2H3.
What are the key properties of CID 145167910?
CID 145167910 has a molecular weight of 304.46 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145167910 is sourced from PubChem (CID 145167910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).