arsane;carbamodithioic acid

CH6AsNS2 — CID 174247077

IUPACarsane;carbamodithioic acid
SMILESNC(=S)S.[AsH3]
InChIInChI=1S/CH3NS2.AsH3/c2-1(3)4;/h(H3,2,3,4);1H3
InChIKeyBYZGBSKGNLHGGX-UHFFFAOYSA-N
MW171.12 g/mol
LogP-1.02
Rot. Bonds

About arsane;carbamodithioic acid

arsane;carbamodithioic acid (PubChem CID 174247077) has the molecular formula CH6AsNS2 and a molecular weight of 171.12 g/mol. Its IUPAC name is arsane;carbamodithioic acid.

Molecular Properties

Compound Namearsane;carbamodithioic acid
PubChem CID174247077
Molecular FormulaCH6AsNS2
Molecular Weight171.12 g/mol
Exact Mass170.92
IUPAC Namearsane;carbamodithioic acid
SMILESNC(=S)S.[AsH3]
InChIInChI=1S/CH3NS2.AsH3/c2-1(3)4;/h(H3,2,3,4);1H3
InChIKeyBYZGBSKGNLHGGX-UHFFFAOYSA-N
XLogP-1.02
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of arsane;carbamodithioic acid?
The IUPAC name of arsane;carbamodithioic acid (CID 174247077) is arsane;carbamodithioic acid.
What is the SMILES notation for arsane;carbamodithioic acid?
The canonical SMILES for arsane;carbamodithioic acid is NC(=S)S.[AsH3].
What is the InChIKey of arsane;carbamodithioic acid?
The InChIKey is BYZGBSKGNLHGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.AsH3/c2-1(3)4;/h(H3,2,3,4);1H3.
What are the key properties of arsane;carbamodithioic acid?
arsane;carbamodithioic acid has a molecular weight of 171.12 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for arsane;carbamodithioic acid is sourced from PubChem (CID 174247077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).