CID 174960010

C4H11NS2 — CID 174960010

IUPAC—
SMILESC1CCNC1.SS
InChIInChI=1S/C4H9N.H2S2/c1-2-4-5-3-1;1-2/h5H,1-4H2;1-2H
InChIKeyQTJMBLHTWNJLHU-UHFFFAOYSA-N
MW137.27 g/mol
LogP1.13
Rot. Bonds

About CID 174960010

CID 174960010 (PubChem CID 174960010) has the molecular formula C4H11NS2 and a molecular weight of 137.27 g/mol.

Molecular Properties

Compound NameCID 174960010
PubChem CID174960010
Molecular FormulaC4H11NS2
Molecular Weight137.27 g/mol
Exact Mass137.03
IUPAC Name—
SMILESC1CCNC1.SS
InChIInChI=1S/C4H9N.H2S2/c1-2-4-5-3-1;1-2/h5H,1-4H2;1-2H
InChIKeyQTJMBLHTWNJLHU-UHFFFAOYSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.27
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174960010?
The IUPAC name of CID 174960010 (CID 174960010) is not available.
What is the SMILES notation for CID 174960010?
The canonical SMILES for CID 174960010 is C1CCNC1.SS.
What is the InChIKey of CID 174960010?
The InChIKey is QTJMBLHTWNJLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.H2S2/c1-2-4-5-3-1;1-2/h5H,1-4H2;1-2H.
What are the key properties of CID 174960010?
CID 174960010 has a molecular weight of 137.27 g/mol, XLogP of 1.13, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174960010 is sourced from PubChem (CID 174960010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).