azane;thiadiazolidine

C2H9N3S — CID 172712611

IUPACazane;thiadiazolidine
SMILESC1CSNN1.N
InChIInChI=1S/C2H6N2S.H3N/c1-2-5-4-3-1;/h3-4H,1-2H2;1H3
InChIKeyJDMSHZGKTFJZOW-UHFFFAOYSA-N
MW107.18 g/mol
LogP-0.10
Rot. Bonds

About azane;thiadiazolidine

azane;thiadiazolidine (PubChem CID 172712611) has the molecular formula C2H9N3S and a molecular weight of 107.18 g/mol. Its IUPAC name is azane;thiadiazolidine.

Molecular Properties

Compound Nameazane;thiadiazolidine
PubChem CID172712611
Molecular FormulaC2H9N3S
Molecular Weight107.18 g/mol
Exact Mass107.05
IUPAC Nameazane;thiadiazolidine
SMILESC1CSNN1.N
InChIInChI=1S/C2H6N2S.H3N/c1-2-5-4-3-1;/h3-4H,1-2H2;1H3
InChIKeyJDMSHZGKTFJZOW-UHFFFAOYSA-N
XLogP-0.10
TPSA59.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dihydrothiadiazol-2-amine
CID 20527895
Thiadiazolidine
CID 21887071
4-(Disulfanyl)pyrazolidine
CID 19376814
Pyrazolidine-4-thiol
CID 19939944
2-Sulfanylidenethiadiazolidin-2-ium
CID 20163164
2-Methylthiadiazolidine
CID 57052603
2-Butylthiadiazolidine
CID 57164517
2-Methylthiadiazolidine;hydroiodide
CID 69586598
Thiadiazolidine 1-oxide
CID 69623092
(2R)-2-methyl-1,3,4-thiadiazolidine
CID 70308765
2-Methyl-1,3,4-thiadiazolidine
CID 77817629
3-Oxidothiadiazolidin-3-ium
CID 87192700

Frequently Asked Questions

What is the IUPAC name of azane;thiadiazolidine?
The IUPAC name of azane;thiadiazolidine (CID 172712611) is azane;thiadiazolidine.
What is the SMILES notation for azane;thiadiazolidine?
The canonical SMILES for azane;thiadiazolidine is C1CSNN1.N.
What is the InChIKey of azane;thiadiazolidine?
The InChIKey is JDMSHZGKTFJZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2S.H3N/c1-2-5-4-3-1;/h3-4H,1-2H2;1H3.
What are the key properties of azane;thiadiazolidine?
azane;thiadiazolidine has a molecular weight of 107.18 g/mol, XLogP of -0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;thiadiazolidine is sourced from PubChem (CID 172712611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).