CID 153352170

C7H9GaN2S — CID 153352170

IUPAC—
SMILESCC(C)c1nc(=S)cc([Ga])[nH]1
InChIInChI=1S/C7H9N2S.Ga/c1-5(2)7-8-4-3-6(10)9-7;/h3,5H,1-2H3,(H,8,9,10);
InChIKeyOWMNQFSVIFNEAB-UHFFFAOYSA-N
MW222.95 g/mol
LogP1.06
Rot. Bonds1

About CID 153352170

CID 153352170 (PubChem CID 153352170) has the molecular formula C7H9GaN2S and a molecular weight of 222.95 g/mol.

Molecular Properties

Compound NameCID 153352170
PubChem CID153352170
Molecular FormulaC7H9GaN2S
Molecular Weight222.95 g/mol
Exact Mass221.97
IUPAC Name—
SMILESCC(C)c1nc(=S)cc([Ga])[nH]1
InChIInChI=1S/C7H9N2S.Ga/c1-5(2)7-8-4-3-6(10)9-7;/h3,5H,1-2H3,(H,8,9,10);
InChIKeyOWMNQFSVIFNEAB-UHFFFAOYSA-N
XLogP1.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.95
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-4-sulfanyl-1H-pyrimidine-6-thione
CID 176957543
6-amino-2-ethyl-1H-pyrimidine-4-thione
CID 82457263
6-amino-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457320
6-amino-2-propyl-1H-pyrimidine-4-thione
CID 82457377
6-amino-2-cyclopropyl-1H-pyrimidine-4-thione
CID 82457545
6-amino-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 82457680

Frequently Asked Questions

What is the IUPAC name of CID 153352170?
The IUPAC name of CID 153352170 (CID 153352170) is not available.
What is the SMILES notation for CID 153352170?
The canonical SMILES for CID 153352170 is CC(C)c1nc(=S)cc([Ga])[nH]1.
What is the InChIKey of CID 153352170?
The InChIKey is OWMNQFSVIFNEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2S.Ga/c1-5(2)7-8-4-3-6(10)9-7;/h3,5H,1-2H3,(H,8,9,10);.
What are the key properties of CID 153352170?
CID 153352170 has a molecular weight of 222.95 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153352170 is sourced from PubChem (CID 153352170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).