phenyl N,N-dipropylcarbamodithioate

C13H19NS2 — CID 132502476

IUPACphenyl N,N-dipropylcarbamodithioate
SMILESCCCN(CCC)C(=S)Sc1ccccc1
InChIInChI=1S/C13H19NS2/c1-3-10-14(11-4-2)13(15)16-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyDSURFFJLFRKXCD-UHFFFAOYSA-N
MW253.44 g/mol
LogP4.19
Rot. Bonds5

About phenyl N,N-dipropylcarbamodithioate

phenyl N,N-dipropylcarbamodithioate (PubChem CID 132502476) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is phenyl N,N-dipropylcarbamodithioate.

Molecular Properties

Compound Namephenyl N,N-dipropylcarbamodithioate
PubChem CID132502476
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Namephenyl N,N-dipropylcarbamodithioate
SMILESCCCN(CCC)C(=S)Sc1ccccc1
InChIInChI=1S/C13H19NS2/c1-3-10-14(11-4-2)13(15)16-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKeyDSURFFJLFRKXCD-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl N,N-dimethylcarbamodithioate
CID 11063386
phenyl N,N-difluorocarbamodithioate
CID 87641892
[dibenzyl(dibutylcarbamothioylsulfanyl)stannyl] N,N-dibutylcarbamodithioate
CID 10794904
S-phenyl N-(2,3-dibromopropyl)-N-propylcarbamothioate
CID 57173149
phenylsulfanyl N,N-diethylcarbamodithioate
CID 134989434
5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene
CID 71368870
benzyl(propyl)carbamodithioic acid
CID 154265529
N,N-dibutylbenzenecarbothioamide
CID 12716080
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485
phenyl N-(cyanomethyl)-N-phenylcarbamodithioate
CID 175069837
propyl N-phenyl-N-propylcarbamodithioate
CID 141103527
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031

Frequently Asked Questions

What is the IUPAC name of phenyl N,N-dipropylcarbamodithioate?
The IUPAC name of phenyl N,N-dipropylcarbamodithioate (CID 132502476) is phenyl N,N-dipropylcarbamodithioate.
What is the SMILES notation for phenyl N,N-dipropylcarbamodithioate?
The canonical SMILES for phenyl N,N-dipropylcarbamodithioate is CCCN(CCC)C(=S)Sc1ccccc1.
What is the InChIKey of phenyl N,N-dipropylcarbamodithioate?
The InChIKey is DSURFFJLFRKXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c1-3-10-14(11-4-2)13(15)16-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of phenyl N,N-dipropylcarbamodithioate?
phenyl N,N-dipropylcarbamodithioate has a molecular weight of 253.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N,N-dipropylcarbamodithioate is sourced from PubChem (CID 132502476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).