CID 90811860

C6H2N3S3 — CID 90811860

IUPAC—
SMILESc1c2c(cc3nsnc13)S[N]S2
InChIInChI=1S/C6H2N3S3/c1-3-4(8-12-7-3)2-6-5(1)10-9-11-6/h1-2H
InChIKeyNJWRNWQFLGOGGM-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.32
Rot. Bonds

About CID 90811860

CID 90811860 (PubChem CID 90811860) has the molecular formula C6H2N3S3 and a molecular weight of 212.30 g/mol.

Molecular Properties

Compound NameCID 90811860
PubChem CID90811860
Molecular FormulaC6H2N3S3
Molecular Weight212.30 g/mol
Exact Mass211.94
IUPAC Name—
SMILESc1c2c(cc3nsnc13)S[N]S2
InChIInChI=1S/C6H2N3S3/c1-3-4(8-12-7-3)2-6-5(1)10-9-11-6/h1-2H
InChIKeyNJWRNWQFLGOGGM-UHFFFAOYSA-N
XLogP2.32
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90811860?
The IUPAC name of CID 90811860 (CID 90811860) is not available.
What is the SMILES notation for CID 90811860?
The canonical SMILES for CID 90811860 is c1c2c(cc3nsnc13)S[N]S2.
What is the InChIKey of CID 90811860?
The InChIKey is NJWRNWQFLGOGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N3S3/c1-3-4(8-12-7-3)2-6-5(1)10-9-11-6/h1-2H.
What are the key properties of CID 90811860?
CID 90811860 has a molecular weight of 212.30 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90811860 is sourced from PubChem (CID 90811860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).