O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate

C8H17NOS2 — CID 175152556

IUPACO-methyl [di(propan-2-yl)amino]sulfanylmethanethioate
SMILESCOC(=S)SN(C(C)C)C(C)C
InChIInChI=1S/C8H17NOS2/c1-6(2)9(7(3)4)12-8(11)10-5/h6-7H,1-5H3
InChIKeyHIKCPHKPDQAVEG-UHFFFAOYSA-N
MW207.36 g/mol
LogP2.68
Rot. Bonds3

About O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate

O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate (PubChem CID 175152556) has the molecular formula C8H17NOS2 and a molecular weight of 207.36 g/mol. Its IUPAC name is O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate.

Molecular Properties

Compound NameO-methyl [di(propan-2-yl)amino]sulfanylmethanethioate
PubChem CID175152556
Molecular FormulaC8H17NOS2
Molecular Weight207.36 g/mol
Exact Mass207.08
IUPAC NameO-methyl [di(propan-2-yl)amino]sulfanylmethanethioate
SMILESCOC(=S)SN(C(C)C)C(C)C
InChIInChI=1S/C8H17NOS2/c1-6(2)9(7(3)4)12-8(11)10-5/h6-7H,1-5H3
InChIKeyHIKCPHKPDQAVEG-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methylmethanamine;O-methyl methylsulfanylmethanethioate
CID 172774796
methyl 2-(dimethylcarbamothioylsulfanyl)propanoate
CID 86253353
O-methyl 2-sulfanylpropan-2-ylsulfanylmethanethioate
CID 139386773
O-[di(propan-2-yl)amino] ethylsulfanylmethanethioate
CID 175159823
O-methyl (3,3-dimethyl-2-oxobutyl)sulfanylmethanethioate
CID 101453401
methyl 2-[di(propan-2-yl)sulfamoyl]ethanedithioate
CID 117059204
methyl 2-[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842889
O-(propan-2-ylamino) propan-2-ylsulfanylmethanethioate
CID 20610392
O-methyl 2-ethylsulfanylethylsulfanylmethanethioate
CID 126992841
methyl 3-[(2-amino-2-sulfanylideneethyl)-propan-2-ylamino]-2,2-dimethylpropanoate
CID 79624202
O-methyl 3-hydroxybutanethioate
CID 87475263
(S)-dithiocarboxy-[[(S)-dithiocarboxy-ethyl-[(2R)-2-methoxypropyl]azaniumyl]amino]-ethyl-[(2R)-2-methoxypropyl]azanium
CID 173259345

Frequently Asked Questions

What is the IUPAC name of O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate?
The IUPAC name of O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate (CID 175152556) is O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate.
What is the SMILES notation for O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate?
The canonical SMILES for O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate is COC(=S)SN(C(C)C)C(C)C.
What is the InChIKey of O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate?
The InChIKey is HIKCPHKPDQAVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS2/c1-6(2)9(7(3)4)12-8(11)10-5/h6-7H,1-5H3.
What are the key properties of O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate?
O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate has a molecular weight of 207.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl [di(propan-2-yl)amino]sulfanylmethanethioate is sourced from PubChem (CID 175152556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).