molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate

C4H3MoN2S3- — CID 174708139

IUPACmolybdenum;N-(1,3-thiazol-2-yl)carbamodithioate
SMILESS=C([S-])Nc1nccs1.[Mo]
InChIInChI=1S/C4H4N2S3.Mo/c7-4(8)6-3-5-1-2-9-3;/h1-2H,(H2,5,6,7,8);/p-1
InChIKeyMDQNYQXQIQYTGZ-UHFFFAOYSA-M
MW271.22 g/mol
LogP1.38
Rot. Bonds1

About molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate

molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate (PubChem CID 174708139) has the molecular formula C4H3MoN2S3- and a molecular weight of 271.22 g/mol. Its IUPAC name is molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate.

Molecular Properties

Compound Namemolybdenum;N-(1,3-thiazol-2-yl)carbamodithioate
PubChem CID174708139
Molecular FormulaC4H3MoN2S3-
Molecular Weight271.22 g/mol
Exact Mass272.85
IUPAC Namemolybdenum;N-(1,3-thiazol-2-yl)carbamodithioate
SMILESS=C([S-])Nc1nccs1.[Mo]
InChIInChI=1S/C4H4N2S3.Mo/c7-4(8)6-3-5-1-2-9-3;/h1-2H,(H2,5,6,7,8);/p-1
InChIKeyMDQNYQXQIQYTGZ-UHFFFAOYSA-M
XLogP1.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxoethyl N-(1,3-thiazol-2-yl)carbamodithioate
CID 130012413
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
4-methyl-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 5377032
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-(1,3-thiazol-2-ylcarbamothioyl)propanamide
CID 916869
1-(1,3-thiazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 117060575
N-(1,3-thiazol-2-yl)prop-2-ynamide
CID 45121776
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2,2-bis(3-aminopropyl)-N,N'-bis(1,3-thiazol-2-yl)propanediamide
CID 13163904

Frequently Asked Questions

What is the IUPAC name of molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate?
The IUPAC name of molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate (CID 174708139) is molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate.
What is the SMILES notation for molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate?
The canonical SMILES for molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate is S=C([S-])Nc1nccs1.[Mo].
What is the InChIKey of molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate?
The InChIKey is MDQNYQXQIQYTGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2S3.Mo/c7-4(8)6-3-5-1-2-9-3;/h1-2H,(H2,5,6,7,8);/p-1.
What are the key properties of molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate?
molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate has a molecular weight of 271.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;N-(1,3-thiazol-2-yl)carbamodithioate is sourced from PubChem (CID 174708139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).