CID 175435599

C12H18N4S2 — CID 175435599

IUPAC—
SMILESCc1cc(C)ncn1.Cc1cc(C)ncn1.SS
InChIInChI=1S/2C6H8N2.H2S2/c2*1-5-3-6(2)8-4-7-5;1-2/h2*3-4H,1-2H3;1-2H
InChIKeyFMKFFPSOSOZXCK-UHFFFAOYSA-N
MW282.44 g/mol
LogP2.95
Rot. Bonds

About CID 175435599

CID 175435599 (PubChem CID 175435599) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol.

Molecular Properties

Compound NameCID 175435599
PubChem CID175435599
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name—
SMILESCc1cc(C)ncn1.Cc1cc(C)ncn1.SS
InChIInChI=1S/2C6H8N2.H2S2/c2*1-5-3-6(2)8-4-7-5;1-2/h2*3-4H,1-2H3;1-2H
InChIKeyFMKFFPSOSOZXCK-UHFFFAOYSA-N
XLogP2.95
TPSA51.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175435599?
The IUPAC name of CID 175435599 (CID 175435599) is not available.
What is the SMILES notation for CID 175435599?
The canonical SMILES for CID 175435599 is Cc1cc(C)ncn1.Cc1cc(C)ncn1.SS.
What is the InChIKey of CID 175435599?
The InChIKey is FMKFFPSOSOZXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8N2.H2S2/c2*1-5-3-6(2)8-4-7-5;1-2/h2*3-4H,1-2H3;1-2H.
What are the key properties of CID 175435599?
CID 175435599 has a molecular weight of 282.44 g/mol, XLogP of 2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175435599 is sourced from PubChem (CID 175435599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).