O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate

C7H15NOS2 — CID 20610392

IUPACO-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate
SMILESCC(C)NOC(=S)SC(C)C
InChIInChI=1S/C7H15NOS2/c1-5(2)8-9-7(10)11-6(3)4/h5-6,8H,1-4H3
InChIKeyVPCMGCSIQVKHIX-UHFFFAOYSA-N
MW193.34 g/mol
LogP2.34
Rot. Bonds3

About O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate

O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate (PubChem CID 20610392) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate.

Molecular Properties

Compound NameO-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate
PubChem CID20610392
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC NameO-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate
SMILESCC(C)NOC(=S)SC(C)C
InChIInChI=1S/C7H15NOS2/c1-5(2)8-9-7(10)11-6(3)4/h5-6,8H,1-4H3
InChIKeyVPCMGCSIQVKHIX-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(propan-2-ylamino) oxalate
CID 57282592
propan-2-yl 2-hydroxyethanedithioate
CID 91188291
propan-2-ylsulfanylmethanedithioic acid
CID 175983905
(propan-2-ylamino) 2-methylprop-2-enoate
CID 140503807
(2S)-2-(propan-2-ylsulfanylcarbothioylamino)propanoic acid
CID 139195499
O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate
CID 175152556
N,N'-di(propan-2-yl)ethanedithioamide
CID 3032814
S-propan-2-yl N-aminocarbamothioate
CID 88822344
(2,2,2-trifluoro-1-methoxycarbothioylsulfanylethyl) acetate
CID 58657868
[amino(propan-2-ylsulfanyl)methylidene]azanium
CID 4218396
sodium;hydride;O-propan-2-yl hydroxysulfanylmethanethioate
CID 174932410
iron;bis(O-methyl carbamothioate)
CID 87395326

Frequently Asked Questions

What is the IUPAC name of O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate?
The IUPAC name of O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate (CID 20610392) is O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate.
What is the SMILES notation for O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate?
The canonical SMILES for O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate is CC(C)NOC(=S)SC(C)C.
What is the InChIKey of O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate?
The InChIKey is VPCMGCSIQVKHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-5(2)8-9-7(10)11-6(3)4/h5-6,8H,1-4H3.
What are the key properties of O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate?
O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate has a molecular weight of 193.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate is sourced from PubChem (CID 20610392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).