carbamic acid;oxomolybdenum;sulfane

CH5MoNO3S — CID 174927382

IUPACcarbamic acid;oxomolybdenum;sulfane
SMILESNC(=O)O.O=[Mo].S
InChIInChI=1S/CH3NO2.Mo.O.H2S/c2-1(3)4;;;/h2H2,(H,3,4);;;1H2
InChIKeyUAOJYJKDAAENAV-UHFFFAOYSA-N
MW207.06 g/mol
LogP-0.39
Rot. Bonds

About carbamic acid;oxomolybdenum;sulfane

carbamic acid;oxomolybdenum;sulfane (PubChem CID 174927382) has the molecular formula CH5MoNO3S and a molecular weight of 207.06 g/mol. Its IUPAC name is carbamic acid;oxomolybdenum;sulfane.

Molecular Properties

Compound Namecarbamic acid;oxomolybdenum;sulfane
PubChem CID174927382
Molecular FormulaCH5MoNO3S
Molecular Weight207.06 g/mol
Exact Mass208.90
IUPAC Namecarbamic acid;oxomolybdenum;sulfane
SMILESNC(=O)O.O=[Mo].S
InChIInChI=1S/CH3NO2.Mo.O.H2S/c2-1(3)4;;;/h2H2,(H,3,4);;;1H2
InChIKeyUAOJYJKDAAENAV-UHFFFAOYSA-N
XLogP-0.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;oxomolybdenum;sulfane?
The IUPAC name of carbamic acid;oxomolybdenum;sulfane (CID 174927382) is carbamic acid;oxomolybdenum;sulfane.
What is the SMILES notation for carbamic acid;oxomolybdenum;sulfane?
The canonical SMILES for carbamic acid;oxomolybdenum;sulfane is NC(=O)O.O=[Mo].S.
What is the InChIKey of carbamic acid;oxomolybdenum;sulfane?
The InChIKey is UAOJYJKDAAENAV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2.Mo.O.H2S/c2-1(3)4;;;/h2H2,(H,3,4);;;1H2.
What are the key properties of carbamic acid;oxomolybdenum;sulfane?
carbamic acid;oxomolybdenum;sulfane has a molecular weight of 207.06 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;oxomolybdenum;sulfane is sourced from PubChem (CID 174927382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).