azane;bis(carbamothioic S-acid);ethane-1,2-diamine

C4H17N5O2S2 — CID 174596244

IUPACazane;bis(carbamothioic S-acid);ethane-1,2-diamine
SMILESN.NC(=O)S.NC(=O)S.NCCN
InChIInChI=1S/C2H8N2.2CH3NOS.H3N/c3-1-2-4;2*2-1(3)4;/h1-4H2;2*(H3,2,3,4);1H3
InChIKeyAJXCITBXFOUHOY-UHFFFAOYSA-N
MW231.35 g/mol
LogP-0.94
Rot. Bonds1

About azane;bis(carbamothioic S-acid);ethane-1,2-diamine

azane;bis(carbamothioic S-acid);ethane-1,2-diamine (PubChem CID 174596244) has the molecular formula C4H17N5O2S2 and a molecular weight of 231.35 g/mol. Its IUPAC name is azane;bis(carbamothioic S-acid);ethane-1,2-diamine.

Molecular Properties

Compound Nameazane;bis(carbamothioic S-acid);ethane-1,2-diamine
PubChem CID174596244
Molecular FormulaC4H17N5O2S2
Molecular Weight231.35 g/mol
Exact Mass231.08
IUPAC Nameazane;bis(carbamothioic S-acid);ethane-1,2-diamine
SMILESN.NC(=O)S.NC(=O)S.NCCN
InChIInChI=1S/C2H8N2.2CH3NOS.H3N/c3-1-2-4;2*2-1(3)4;/h1-4H2;2*(H3,2,3,4);1H3
InChIKeyAJXCITBXFOUHOY-UHFFFAOYSA-N
XLogP-0.94
TPSA173.22 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.35
LogP ≤ 5-0.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
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bis(carbamothioic S-acid);hydrazine
CID 175156320
carbonic acid;tris(ethane-1,2-diamine)
CID 173023593
bis(carbamothioic S-acid);iron;methane
CID 173052593
dipotassium;carbamothioic S-acid;hydride
CID 174982540
carbonic acid;ethane-1,2-diamine
CID 22445535
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365
CID 174610830
CID 174610830
bis(carbamothioic S-acid);methanethiol
CID 173288560
azane;ethane-1,2-diamine
CID 172821054

Frequently Asked Questions

What is the IUPAC name of azane;bis(carbamothioic S-acid);ethane-1,2-diamine?
The IUPAC name of azane;bis(carbamothioic S-acid);ethane-1,2-diamine (CID 174596244) is azane;bis(carbamothioic S-acid);ethane-1,2-diamine.
What is the SMILES notation for azane;bis(carbamothioic S-acid);ethane-1,2-diamine?
The canonical SMILES for azane;bis(carbamothioic S-acid);ethane-1,2-diamine is N.NC(=O)S.NC(=O)S.NCCN.
What is the InChIKey of azane;bis(carbamothioic S-acid);ethane-1,2-diamine?
The InChIKey is AJXCITBXFOUHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.2CH3NOS.H3N/c3-1-2-4;2*2-1(3)4;/h1-4H2;2*(H3,2,3,4);1H3.
What are the key properties of azane;bis(carbamothioic S-acid);ethane-1,2-diamine?
azane;bis(carbamothioic S-acid);ethane-1,2-diamine has a molecular weight of 231.35 g/mol, XLogP of -0.94, 1 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(carbamothioic S-acid);ethane-1,2-diamine is sourced from PubChem (CID 174596244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).