CID 70618766

C4H8N6NaOS — CID 70618766

IUPAC—
SMILESNC(=O)NCCn1[nH]nnc1=S.[Na]
InChIInChI=1S/C4H8N6OS.Na/c5-3(11)6-1-2-10-4(12)7-8-9-10;/h1-2H2,(H3,5,6,11)(H,7,9,12);
InChIKeySBZLVCPKBFHMOS-UHFFFAOYSA-N
MW211.21 g/mol
LogP-1.38
Rot. Bonds3

About CID 70618766

CID 70618766 (PubChem CID 70618766) has the molecular formula C4H8N6NaOS and a molecular weight of 211.21 g/mol.

Molecular Properties

Compound NameCID 70618766
PubChem CID70618766
Molecular FormulaC4H8N6NaOS
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC Name—
SMILESNC(=O)NCCn1[nH]nnc1=S.[Na]
InChIInChI=1S/C4H8N6OS.Na/c5-3(11)6-1-2-10-4(12)7-8-9-10;/h1-2H2,(H3,5,6,11)(H,7,9,12);
InChIKeySBZLVCPKBFHMOS-UHFFFAOYSA-N
XLogP-1.38
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70618766?
The IUPAC name of CID 70618766 (CID 70618766) is not available.
What is the SMILES notation for CID 70618766?
The canonical SMILES for CID 70618766 is NC(=O)NCCn1[nH]nnc1=S.[Na].
What is the InChIKey of CID 70618766?
The InChIKey is SBZLVCPKBFHMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6OS.Na/c5-3(11)6-1-2-10-4(12)7-8-9-10;/h1-2H2,(H3,5,6,11)(H,7,9,12);.
What are the key properties of CID 70618766?
CID 70618766 has a molecular weight of 211.21 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70618766 is sourced from PubChem (CID 70618766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).