CID 175973603

C6H7NSSn — CID 175973603

IUPAC—
SMILESNc1ccccc1S.[Sn]
InChIInChI=1S/C6H7NS.Sn/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;
InChIKeyVUTDJRMXHJZWBP-UHFFFAOYSA-N
MW243.91 g/mol
LogP1.18
Rot. Bonds

About CID 175973603

CID 175973603 (PubChem CID 175973603) has the molecular formula C6H7NSSn and a molecular weight of 243.91 g/mol.

Molecular Properties

Compound NameCID 175973603
PubChem CID175973603
Molecular FormulaC6H7NSSn
Molecular Weight243.91 g/mol
Exact Mass244.93
IUPAC Name—
SMILESNc1ccccc1S.[Sn]
InChIInChI=1S/C6H7NS.Sn/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;
InChIKeyVUTDJRMXHJZWBP-UHFFFAOYSA-N
XLogP1.18
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.91
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175973603?
The IUPAC name of CID 175973603 (CID 175973603) is not available.
What is the SMILES notation for CID 175973603?
The canonical SMILES for CID 175973603 is Nc1ccccc1S.[Sn].
What is the InChIKey of CID 175973603?
The InChIKey is VUTDJRMXHJZWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.Sn/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;.
What are the key properties of CID 175973603?
CID 175973603 has a molecular weight of 243.91 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175973603 is sourced from PubChem (CID 175973603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).