bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate

C27H54N3S6Sb — CID 16685245

IUPACbis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate
SMILESCC(C)CN(CC(C)C)C(=S)S[Sb](SC(=S)N(CC(C)C)CC(C)C)SC(=S)N(CC(C)C)CC(C)C
InChIInChI=1S/3C9H19NS2.Sb/c3*1-7(2)5-10(9(11)12)6-8(3)4;/h3*7-8H,5-6H2,1-4H3,(H,11,12);/q;;;+3/p-3
InChIKeyYZSWKFQTDSEODD-UHFFFAOYSA-K
MW734.91 g/mol
LogP8.87
Rot. Bonds15

About bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate

bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate (PubChem CID 16685245) has the molecular formula C27H54N3S6Sb and a molecular weight of 734.91 g/mol. Its IUPAC name is bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate.

Molecular Properties

Compound Namebis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate
PubChem CID16685245
Molecular FormulaC27H54N3S6Sb
Molecular Weight734.91 g/mol
Exact Mass733.17
IUPAC Namebis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate
SMILESCC(C)CN(CC(C)C)C(=S)S[Sb](SC(=S)N(CC(C)C)CC(C)C)SC(=S)N(CC(C)C)CC(C)C
InChIInChI=1S/3C9H19NS2.Sb/c3*1-7(2)5-10(9(11)12)6-8(3)4;/h3*7-8H,5-6H2,1-4H3,(H,11,12);/q;;;+3/p-3
InChIKeyYZSWKFQTDSEODD-UHFFFAOYSA-K
XLogP8.87
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.91
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(N,N-bis(2-methylpropyl)carbamodithioate);cobalt(2+)
CID 14251991
tris(N,N-bis(2-methylpropyl)carbamodithioate);nickel(3+)
CID 14251923
1,1,3-tris(2-methylpropyl)thiourea
CID 19653244
N-ethyl-3-methyl-N-(2-methylpropyl)butanethioamide
CID 91125424
S-methyl N,N-bis(2-methylpropyl)carbamothioate
CID 20780776
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
3-tert-butyl-1,1-bis(2-methylpropyl)thiourea
CID 127513083
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
CID 88818458
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;titanium
CID 87157632
bis(2-methylpropyl)carbamoyl-oxophosphanium
CID 149152726
N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
ethene;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
CID 87296608

Frequently Asked Questions

What is the IUPAC name of bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate?
The IUPAC name of bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate (CID 16685245) is bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate.
What is the SMILES notation for bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate?
The canonical SMILES for bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate is CC(C)CN(CC(C)C)C(=S)S[Sb](SC(=S)N(CC(C)C)CC(C)C)SC(=S)N(CC(C)C)CC(C)C.
What is the InChIKey of bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate?
The InChIKey is YZSWKFQTDSEODD-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H19NS2.Sb/c3*1-7(2)5-10(9(11)12)6-8(3)4;/h3*7-8H,5-6H2,1-4H3,(H,11,12);/q;;;+3/p-3.
What are the key properties of bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate?
bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate has a molecular weight of 734.91 g/mol, XLogP of 8.87, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(2-methylpropyl)carbamothioylsulfanyl]stibanyl N,N-bis(2-methylpropyl)carbamodithioate is sourced from PubChem (CID 16685245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).