acetic acid;azane;carbamic acid;2-sulfanylacetic acid

C5H20N4O6S — CID 175733509

IUPACacetic acid;azane;carbamic acid;2-sulfanylacetic acid
SMILESCC(=O)O.N.N.N.NC(=O)O.O=C(O)CS
InChIInChI=1S/C2H4O2S.C2H4O2.CH3NO2.3H3N/c3-2(4)1-5;1-2(3)4;2-1(3)4;;;/h5H,1H2,(H,3,4);1H3,(H,3,4);2H2,(H,3,4);3*1H3
InChIKeyRTLXBTLTOGGYGS-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.20
Rot. Bonds1

About acetic acid;azane;carbamic acid;2-sulfanylacetic acid

acetic acid;azane;carbamic acid;2-sulfanylacetic acid (PubChem CID 175733509) has the molecular formula C5H20N4O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is acetic acid;azane;carbamic acid;2-sulfanylacetic acid.

Molecular Properties

Compound Nameacetic acid;azane;carbamic acid;2-sulfanylacetic acid
PubChem CID175733509
Molecular FormulaC5H20N4O6S
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC Nameacetic acid;azane;carbamic acid;2-sulfanylacetic acid
SMILESCC(=O)O.N.N.N.NC(=O)O.O=C(O)CS
InChIInChI=1S/C2H4O2S.C2H4O2.CH3NO2.3H3N/c3-2(4)1-5;1-2(3)4;2-1(3)4;;;/h5H,1H2,(H,3,4);1H3,(H,3,4);2H2,(H,3,4);3*1H3
InChIKeyRTLXBTLTOGGYGS-UHFFFAOYSA-N
XLogP0.20
TPSA242.92 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.30
LogP ≤ 50.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

cobalt;2-sulfanylacetic acid
CID 88801503
acetic acid;carbamic acid;silane
CID 174514013
CID 57473469
CID 57473469
manganese;2-sulfanylacetic acid
CID 175094975
2-sulfanylacetic acid;hydrochloride
CID 87316601
ethane-1,2-diamine;2-sulfanylacetic acid
CID 161137950
acetic acid;2-aminoacetic acid;azane
CID 175048501
ethane-1,2-dithiol;bis(2-sulfanylacetic acid)
CID 19352306
acetic acid;octadecakis(guanidine)
CID 175088654
strontium;hydride;2-sulfanylacetic acid
CID 173001383
acetic acid;pentakis(guanidine)
CID 174792068
acetic acid;azane
CID 173340275

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;carbamic acid;2-sulfanylacetic acid?
The IUPAC name of acetic acid;azane;carbamic acid;2-sulfanylacetic acid (CID 175733509) is acetic acid;azane;carbamic acid;2-sulfanylacetic acid.
What is the SMILES notation for acetic acid;azane;carbamic acid;2-sulfanylacetic acid?
The canonical SMILES for acetic acid;azane;carbamic acid;2-sulfanylacetic acid is CC(=O)O.N.N.N.NC(=O)O.O=C(O)CS.
What is the InChIKey of acetic acid;azane;carbamic acid;2-sulfanylacetic acid?
The InChIKey is RTLXBTLTOGGYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.C2H4O2.CH3NO2.3H3N/c3-2(4)1-5;1-2(3)4;2-1(3)4;;;/h5H,1H2,(H,3,4);1H3,(H,3,4);2H2,(H,3,4);3*1H3.
What are the key properties of acetic acid;azane;carbamic acid;2-sulfanylacetic acid?
acetic acid;azane;carbamic acid;2-sulfanylacetic acid has a molecular weight of 264.30 g/mol, XLogP of 0.20, 1 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;carbamic acid;2-sulfanylacetic acid is sourced from PubChem (CID 175733509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).