gold(1+) carbamodithioate

CH2AuNS2 — CID 118378800

IUPACgold(1+) carbamodithioate
SMILESNC(=S)[S-].[Au+]
InChIInChI=1S/CH3NS2.Au/c2-1(3)4;/h(H3,2,3,4);/q;+1/p-1
InChIKeySMBVKLRCXBEKIS-UHFFFAOYSA-M
MW289.14 g/mol
LogP-0.23
Rot. Bonds

About gold(1+) carbamodithioate

gold(1+) carbamodithioate (PubChem CID 118378800) has the molecular formula CH2AuNS2 and a molecular weight of 289.14 g/mol. Its IUPAC name is gold(1+) carbamodithioate.

Molecular Properties

Compound Namegold(1+) carbamodithioate
PubChem CID118378800
Molecular FormulaCH2AuNS2
Molecular Weight289.14 g/mol
Exact Mass288.93
IUPAC Namegold(1+) carbamodithioate
SMILESNC(=S)[S-].[Au+]
InChIInChI=1S/CH3NS2.Au/c2-1(3)4;/h(H3,2,3,4);/q;+1/p-1
InChIKeySMBVKLRCXBEKIS-UHFFFAOYSA-M
XLogP-0.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of gold(1+) carbamodithioate?
The IUPAC name of gold(1+) carbamodithioate (CID 118378800) is gold(1+) carbamodithioate.
What is the SMILES notation for gold(1+) carbamodithioate?
The canonical SMILES for gold(1+) carbamodithioate is NC(=S)[S-].[Au+].
What is the InChIKey of gold(1+) carbamodithioate?
The InChIKey is SMBVKLRCXBEKIS-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NS2.Au/c2-1(3)4;/h(H3,2,3,4);/q;+1/p-1.
What are the key properties of gold(1+) carbamodithioate?
gold(1+) carbamodithioate has a molecular weight of 289.14 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+) carbamodithioate is sourced from PubChem (CID 118378800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).