CID 157222783

C7H7KNS2 — CID 157222783

IUPAC—
SMILESNC(=S)Sc1ccccc1.[K]
InChIInChI=1S/C7H7NS2.K/c8-7(9)10-6-4-2-1-3-5-6;/h1-5H,(H2,8,9);
InChIKeyATEOTXINLTXWCF-UHFFFAOYSA-N
MW208.37 g/mol
LogP1.64
Rot. Bonds1

About CID 157222783

CID 157222783 (PubChem CID 157222783) has the molecular formula C7H7KNS2 and a molecular weight of 208.37 g/mol.

Molecular Properties

Compound NameCID 157222783
PubChem CID157222783
Molecular FormulaC7H7KNS2
Molecular Weight208.37 g/mol
Exact Mass207.97
IUPAC Name—
SMILESNC(=S)Sc1ccccc1.[K]
InChIInChI=1S/C7H7NS2.K/c8-7(9)10-6-4-2-1-3-5-6;/h1-5H,(H2,8,9);
InChIKeyATEOTXINLTXWCF-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 51.64
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

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cyclopentane;2-methyl-4,6-dinitrophenol;phenyl carbamodithioate
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CID 87293527
phenylsulfanylbenzene;urea
CID 161199097
S-phenyl cyclopentanecarbothioate
CID 14090314
1-S,4-S-diphenyl (Z)-but-2-enebis(thioate)
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phenol;thiourea
CID 88698794

Frequently Asked Questions

What is the IUPAC name of CID 157222783?
The IUPAC name of CID 157222783 (CID 157222783) is not available.
What is the SMILES notation for CID 157222783?
The canonical SMILES for CID 157222783 is NC(=S)Sc1ccccc1.[K].
What is the InChIKey of CID 157222783?
The InChIKey is ATEOTXINLTXWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS2.K/c8-7(9)10-6-4-2-1-3-5-6;/h1-5H,(H2,8,9);.
What are the key properties of CID 157222783?
CID 157222783 has a molecular weight of 208.37 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157222783 is sourced from PubChem (CID 157222783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).