CID 57089382

CH3N2O2S2- — CID 57089382

IUPAC—
SMILESNC(=O)N[S-](=O)=S
InChIInChI=1S/CH3N2O2S2/c2-1(4)3-7(5)6/h(H3,2,3,4,5,6)/q-1
InChIKeyYGKKOBVTZKKTFO-UHFFFAOYSA-N
MW139.18 g/mol
LogP-1.00
Rot. Bonds1

About CID 57089382

CID 57089382 (PubChem CID 57089382) has the molecular formula CH3N2O2S2- and a molecular weight of 139.18 g/mol.

Molecular Properties

Compound NameCID 57089382
PubChem CID57089382
Molecular FormulaCH3N2O2S2-
Molecular Weight139.18 g/mol
Exact Mass138.96
IUPAC Name—
SMILESNC(=O)N[S-](=O)=S
InChIInChI=1S/CH3N2O2S2/c2-1(4)3-7(5)6/h(H3,2,3,4,5,6)/q-1
InChIKeyYGKKOBVTZKKTFO-UHFFFAOYSA-N
XLogP-1.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57089382?
The IUPAC name of CID 57089382 (CID 57089382) is not available.
What is the SMILES notation for CID 57089382?
The canonical SMILES for CID 57089382 is NC(=O)N[S-](=O)=S.
What is the InChIKey of CID 57089382?
The InChIKey is YGKKOBVTZKKTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N2O2S2/c2-1(4)3-7(5)6/h(H3,2,3,4,5,6)/q-1.
What are the key properties of CID 57089382?
CID 57089382 has a molecular weight of 139.18 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57089382 is sourced from PubChem (CID 57089382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).