butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum

C10H21MoNOS2 — CID 175197197

IUPACbutylsulfanyl(pentyl)carbamothioic O-acid;molybdenum
SMILESCCCCCN(SCCCC)C(O)=S.[Mo]
InChIInChI=1S/C10H21NOS2.Mo/c1-3-5-7-8-11(10(12)13)14-9-6-4-2;/h3-9H2,1-2H3,(H,12,13);
InChIKeyZXHSACVPPBCAGV-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.77
Rot. Bonds8

About butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum

butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum (PubChem CID 175197197) has the molecular formula C10H21MoNOS2 and a molecular weight of 331.36 g/mol. Its IUPAC name is butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum.

Molecular Properties

Compound Namebutylsulfanyl(pentyl)carbamothioic O-acid;molybdenum
PubChem CID175197197
Molecular FormulaC10H21MoNOS2
Molecular Weight331.36 g/mol
Exact Mass333.01
IUPAC Namebutylsulfanyl(pentyl)carbamothioic O-acid;molybdenum
SMILESCCCCCN(SCCCC)C(O)=S.[Mo]
InChIInChI=1S/C10H21NOS2.Mo/c1-3-5-7-8-11(10(12)13)14-9-6-4-2;/h3-9H2,1-2H3,(H,12,13);
InChIKeyZXHSACVPPBCAGV-UHFFFAOYSA-N
XLogP3.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 88837455
molybdenum;octadecyl(octyl)carbamothioic O-acid
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1-pentyl-1-sulfanylthiourea
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hexakis(N,N-di(tridecyl)carbamodithioate);molybdenum;sulfur monoxide
CID 19708628
N-ethyl-N-silylpentan-1-amine
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CID 22164562
CID 22164562
N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175487759
bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
[ethyl(pentyl)amino]-sulfinylmethanol
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(didodecylamino) carbamodithioate
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1,1,3-trihexylthiourea
CID 19875506

Frequently Asked Questions

What is the IUPAC name of butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum?
The IUPAC name of butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum (CID 175197197) is butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum.
What is the SMILES notation for butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum?
The canonical SMILES for butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum is CCCCCN(SCCCC)C(O)=S.[Mo].
What is the InChIKey of butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum?
The InChIKey is ZXHSACVPPBCAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS2.Mo/c1-3-5-7-8-11(10(12)13)14-9-6-4-2;/h3-9H2,1-2H3,(H,12,13);.
What are the key properties of butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum?
butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum has a molecular weight of 331.36 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl(pentyl)carbamothioic O-acid;molybdenum is sourced from PubChem (CID 175197197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).