barium(2+);carbamodithioic acid;hydride

CH5BaNS2 — CID 174258632

IUPACbarium(2+);carbamodithioic acid;hydride
SMILESNC(=S)S.[Ba+2].[H-].[H-]
InChIInChI=1S/CH3NS2.Ba.2H/c2-1(3)4;;;/h(H3,2,3,4);;;/q;+2;2*-1
InChIKeyIAZRFVKANVRPGK-UHFFFAOYSA-N
MW232.52 g/mol
LogP0.00
Rot. Bonds

About barium(2+);carbamodithioic acid;hydride

barium(2+);carbamodithioic acid;hydride (PubChem CID 174258632) has the molecular formula CH5BaNS2 and a molecular weight of 232.52 g/mol. Its IUPAC name is barium(2+);carbamodithioic acid;hydride.

Molecular Properties

Compound Namebarium(2+);carbamodithioic acid;hydride
PubChem CID174258632
Molecular FormulaCH5BaNS2
Molecular Weight232.52 g/mol
Exact Mass232.89
IUPAC Namebarium(2+);carbamodithioic acid;hydride
SMILESNC(=S)S.[Ba+2].[H-].[H-]
InChIInChI=1S/CH3NS2.Ba.2H/c2-1(3)4;;;/h(H3,2,3,4);;;/q;+2;2*-1
InChIKeyIAZRFVKANVRPGK-UHFFFAOYSA-N
XLogP0.00
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.52
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173103786
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CID 162211003
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arsane;carbamodithioic acid
CID 174247077
CID 172737064
CID 172737064
CID 157375712
CID 157375712
carbamodithioic acid;selane
CID 174428895
carbamodithioic acid;hydroiodide
CID 86734769
barium(2+);hydride;thiourea;hydrate
CID 175350134
beryllium;hydride;thiourea
CID 174830169
carbamodithioic acid;oxomolybdenum;sulfane
CID 174360414

Frequently Asked Questions

What is the IUPAC name of barium(2+);carbamodithioic acid;hydride?
The IUPAC name of barium(2+);carbamodithioic acid;hydride (CID 174258632) is barium(2+);carbamodithioic acid;hydride.
What is the SMILES notation for barium(2+);carbamodithioic acid;hydride?
The canonical SMILES for barium(2+);carbamodithioic acid;hydride is NC(=S)S.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);carbamodithioic acid;hydride?
The InChIKey is IAZRFVKANVRPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.Ba.2H/c2-1(3)4;;;/h(H3,2,3,4);;;/q;+2;2*-1.
What are the key properties of barium(2+);carbamodithioic acid;hydride?
barium(2+);carbamodithioic acid;hydride has a molecular weight of 232.52 g/mol, XLogP of 0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);carbamodithioic acid;hydride is sourced from PubChem (CID 174258632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).