methylthiourea;sulfuric acid

C2H8N2O4S2 — CID 22711292

IUPACmethylthiourea;sulfuric acid
SMILESCNC(N)=S.O=S(=O)(O)O
InChIInChI=1S/C2H6N2S.H2O4S/c1-4-2(3)5;1-5(2,3)4/h1H3,(H3,3,4,5);(H2,1,2,3,4)
InChIKeyCPLPFKDTCYDKNE-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.20
Rot. Bonds

About methylthiourea;sulfuric acid

methylthiourea;sulfuric acid (PubChem CID 22711292) has the molecular formula C2H8N2O4S2 and a molecular weight of 188.23 g/mol. Its IUPAC name is methylthiourea;sulfuric acid.

Molecular Properties

Compound Namemethylthiourea;sulfuric acid
PubChem CID22711292
Molecular FormulaC2H8N2O4S2
Molecular Weight188.23 g/mol
Exact Mass187.99
IUPAC Namemethylthiourea;sulfuric acid
SMILESCNC(N)=S.O=S(=O)(O)O
InChIInChI=1S/C2H6N2S.H2O4S/c1-4-2(3)5;1-5(2,3)4/h1H3,(H3,3,4,5);(H2,1,2,3,4)
InChIKeyCPLPFKDTCYDKNE-UHFFFAOYSA-N
XLogP-1.20
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 88778856
nitrothiourea;sulfuric acid
CID 173340435
methanamine;methane;sulfuric acid
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methanesulfonic acid;sulfur monoxide
CID 174707848
ethane;sulfuric acid
CID 174865721
hydroxylamine;sulfuric acid
CID 173362225
methanol;sulfuric acid
CID 174902694
guanidine;sulfuric acid
CID 159331300
alumane;sulfuric acid;urea
CID 173346589
hydroxylamine;methanesulfonic acid;hydrochloride
CID 87157729
hydroxyurea;sulfuric acid
CID 170163620
2-(carbamothioylamino)ethanesulfonic acid
CID 18341768

Frequently Asked Questions

What is the IUPAC name of methylthiourea;sulfuric acid?
The IUPAC name of methylthiourea;sulfuric acid (CID 22711292) is methylthiourea;sulfuric acid.
What is the SMILES notation for methylthiourea;sulfuric acid?
The canonical SMILES for methylthiourea;sulfuric acid is CNC(N)=S.O=S(=O)(O)O.
What is the InChIKey of methylthiourea;sulfuric acid?
The InChIKey is CPLPFKDTCYDKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2S.H2O4S/c1-4-2(3)5;1-5(2,3)4/h1H3,(H3,3,4,5);(H2,1,2,3,4).
What are the key properties of methylthiourea;sulfuric acid?
methylthiourea;sulfuric acid has a molecular weight of 188.23 g/mol, XLogP of -1.20, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylthiourea;sulfuric acid is sourced from PubChem (CID 22711292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).