azane;carbamothioic S-acid

CH6N2OS — CID 12743068

IUPACazane;carbamothioic S-acid
SMILESN.NC(=O)S
InChIInChI=1S/CH3NOS.H3N/c2-1(3)4;/h(H3,2,3,4);1H3
InChIKeyPTYONPWKVPLXDZ-UHFFFAOYSA-N
MW94.14 g/mol
LogP0.16
Rot. Bonds

About azane;carbamothioic S-acid

azane;carbamothioic S-acid (PubChem CID 12743068) has the molecular formula CH6N2OS and a molecular weight of 94.14 g/mol. Its IUPAC name is azane;carbamothioic S-acid.

Molecular Properties

Compound Nameazane;carbamothioic S-acid
PubChem CID12743068
Molecular FormulaCH6N2OS
Molecular Weight94.14 g/mol
Exact Mass94.02
IUPAC Nameazane;carbamothioic S-acid
SMILESN.NC(=O)S
InChIInChI=1S/CH3NOS.H3N/c2-1(3)4;/h(H3,2,3,4);1H3
InChIKeyPTYONPWKVPLXDZ-UHFFFAOYSA-N
XLogP0.16
TPSA78.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.14
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
CID 89401322
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bis(carbamothioic S-acid);iron;methane
CID 173052593
dipotassium;carbamothioic S-acid;hydride
CID 174982540
CID 174610830
CID 174610830
bis(carbamothioic S-acid);methanethiol
CID 173288560
azane;bis(carbamothioic S-acid);ethane-1,2-diamine
CID 174596244
acetamide;carbamothioic S-acid
CID 160740835
bis(sulfanylidene)molybdenum;carbamothioic S-acid
CID 158463415
sodium;bis(carbamothioic S-acid);ethane;hydride
CID 173033677
azane;urea
CID 158949980

Frequently Asked Questions

What is the IUPAC name of azane;carbamothioic S-acid?
The IUPAC name of azane;carbamothioic S-acid (CID 12743068) is azane;carbamothioic S-acid.
What is the SMILES notation for azane;carbamothioic S-acid?
The canonical SMILES for azane;carbamothioic S-acid is N.NC(=O)S.
What is the InChIKey of azane;carbamothioic S-acid?
The InChIKey is PTYONPWKVPLXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NOS.H3N/c2-1(3)4;/h(H3,2,3,4);1H3.
What are the key properties of azane;carbamothioic S-acid?
azane;carbamothioic S-acid has a molecular weight of 94.14 g/mol, XLogP of 0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbamothioic S-acid is sourced from PubChem (CID 12743068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).