ethane-1,2-diamine;2-sulfanylacetic acid

C4H12N2O2S — CID 161137950

IUPACethane-1,2-diamine;2-sulfanylacetic acid
SMILESNCCN.O=C(O)CS
InChIInChI=1S/C2H8N2.C2H4O2S/c3-1-2-4;3-2(4)1-5/h1-4H2;5H,1H2,(H,3,4)
InChIKeyUNAXCZIYSVHWEN-UHFFFAOYSA-N
MW152.22 g/mol
LogP-1.10
Rot. Bonds2

About ethane-1,2-diamine;2-sulfanylacetic acid

ethane-1,2-diamine;2-sulfanylacetic acid (PubChem CID 161137950) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is ethane-1,2-diamine;2-sulfanylacetic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;2-sulfanylacetic acid
PubChem CID161137950
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC Nameethane-1,2-diamine;2-sulfanylacetic acid
SMILESNCCN.O=C(O)CS
InChIInChI=1S/C2H8N2.C2H4O2S/c3-1-2-4;3-2(4)1-5/h1-4H2;5H,1H2,(H,3,4)
InChIKeyUNAXCZIYSVHWEN-UHFFFAOYSA-N
XLogP-1.10
TPSA89.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cobalt;2-sulfanylacetic acid
CID 88801503
CID 57473469
CID 57473469
manganese;2-sulfanylacetic acid
CID 175094975
2-sulfanylacetic acid;hydrochloride
CID 87316601
ethane-1,2-dithiol;bis(2-sulfanylacetic acid)
CID 19352306
strontium;hydride;2-sulfanylacetic acid
CID 173001383
carbonic acid;ethane-1,2-diamine
CID 22445535
carbonic acid;tris(ethane-1,2-diamine)
CID 173023593
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365
azane;bis(butanedioic acid);ethane-1,2-diamine
CID 173216605
1,3-dihydroxypropan-2-one;bis(2-sulfanylacetic acid)
CID 88802606
ethane-1,2-diamine;propanoic acid
CID 87882267

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;2-sulfanylacetic acid?
The IUPAC name of ethane-1,2-diamine;2-sulfanylacetic acid (CID 161137950) is ethane-1,2-diamine;2-sulfanylacetic acid.
What is the SMILES notation for ethane-1,2-diamine;2-sulfanylacetic acid?
The canonical SMILES for ethane-1,2-diamine;2-sulfanylacetic acid is NCCN.O=C(O)CS.
What is the InChIKey of ethane-1,2-diamine;2-sulfanylacetic acid?
The InChIKey is UNAXCZIYSVHWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.C2H4O2S/c3-1-2-4;3-2(4)1-5/h1-4H2;5H,1H2,(H,3,4).
What are the key properties of ethane-1,2-diamine;2-sulfanylacetic acid?
ethane-1,2-diamine;2-sulfanylacetic acid has a molecular weight of 152.22 g/mol, XLogP of -1.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;2-sulfanylacetic acid is sourced from PubChem (CID 161137950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).