CID 71299520

CH2N2S — CID 71299520

IUPAC—
SMILESN#C[S-].[NH2+]
InChIInChI=1S/CHNS.H2N/c2-1-3;/h3H;1H2/q;+1/p-1
InChIKeyRVWDITLGYPUUMK-UHFFFAOYSA-M
MW74.11 g/mol
LogP-1.51
Rot. Bonds

About CID 71299520

CID 71299520 (PubChem CID 71299520) has the molecular formula CH2N2S and a molecular weight of 74.11 g/mol.

Molecular Properties

Compound NameCID 71299520
PubChem CID71299520
Molecular FormulaCH2N2S
Molecular Weight74.11 g/mol
Exact Mass73.99
IUPAC Name—
SMILESN#C[S-].[NH2+]
InChIInChI=1S/CHNS.H2N/c2-1-3;/h3H;1H2/q;+1/p-1
InChIKeyRVWDITLGYPUUMK-UHFFFAOYSA-M
XLogP-1.51
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.11
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 71299520?
The IUPAC name of CID 71299520 (CID 71299520) is not available.
What is the SMILES notation for CID 71299520?
The canonical SMILES for CID 71299520 is N#C[S-].[NH2+].
What is the InChIKey of CID 71299520?
The InChIKey is RVWDITLGYPUUMK-UHFFFAOYSA-M. The full InChI is InChI=1S/CHNS.H2N/c2-1-3;/h3H;1H2/q;+1/p-1.
What are the key properties of CID 71299520?
CID 71299520 has a molecular weight of 74.11 g/mol, XLogP of -1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71299520 is sourced from PubChem (CID 71299520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).