aminomethylcarbamothioic S-acid

C2H6N2OS — CID 137399348

IUPACaminomethylcarbamothioic S-acid
SMILESNCNC(=O)S
InChIInChI=1S/C2H6N2OS/c3-1-4-2(5)6/h1,3H2,(H2,4,5,6)
InChIKeyVCMCJDQNUGAAPZ-UHFFFAOYSA-N
MW106.15 g/mol
LogP-0.46
Rot. Bonds1

About aminomethylcarbamothioic S-acid

aminomethylcarbamothioic S-acid (PubChem CID 137399348) has the molecular formula C2H6N2OS and a molecular weight of 106.15 g/mol. Its IUPAC name is aminomethylcarbamothioic S-acid.

Molecular Properties

Compound Nameaminomethylcarbamothioic S-acid
PubChem CID137399348
Molecular FormulaC2H6N2OS
Molecular Weight106.15 g/mol
Exact Mass106.02
IUPAC Nameaminomethylcarbamothioic S-acid
SMILESNCNC(=O)S
InChIInChI=1S/C2H6N2OS/c3-1-4-2(5)6/h1,3H2,(H2,4,5,6)
InChIKeyVCMCJDQNUGAAPZ-UHFFFAOYSA-N
XLogP-0.46
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminomethylcarbamothioic S-acid?
The IUPAC name of aminomethylcarbamothioic S-acid (CID 137399348) is aminomethylcarbamothioic S-acid.
What is the SMILES notation for aminomethylcarbamothioic S-acid?
The canonical SMILES for aminomethylcarbamothioic S-acid is NCNC(=O)S.
What is the InChIKey of aminomethylcarbamothioic S-acid?
The InChIKey is VCMCJDQNUGAAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2OS/c3-1-4-2(5)6/h1,3H2,(H2,4,5,6).
What are the key properties of aminomethylcarbamothioic S-acid?
aminomethylcarbamothioic S-acid has a molecular weight of 106.15 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylcarbamothioic S-acid is sourced from PubChem (CID 137399348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).