S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate

C8H13NOS — CID 167191445

IUPACS-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate
SMILESC=CSC(=O)N(C=C)C(C)C
InChIInChI=1S/C8H13NOS/c1-5-9(7(3)4)8(10)11-6-2/h5-7H,1-2H2,3-4H3
InChIKeyCNGJUJPWOBSVIB-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.84
Rot. Bonds3

About S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate

S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate (PubChem CID 167191445) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate.

Molecular Properties

Compound NameS-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate
PubChem CID167191445
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC NameS-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate
SMILESC=CSC(=O)N(C=C)C(C)C
InChIInChI=1S/C8H13NOS/c1-5-9(7(3)4)8(10)11-6-2/h5-7H,1-2H2,3-4H3
InChIKeyCNGJUJPWOBSVIB-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-1,3-thiazol-2-one
CID 13828887
3-Propan-2-yl-1,3-thiazol-2-one
CID 89103066
Ethane;3-methyl-1,3-thiazol-2-one
CID 91228224
3-Tert-butyl-1,3-thiazol-2-one
CID 118602686
CID 159520608
CID 159520608
Ethane;2-methylpropane;3-propan-2-yl-1,3-thiazol-2-one
CID 159650406
CID 160632580
CID 160632580
S-ethenyl N-methyl-N-propan-2-ylcarbamothioate
CID 170083935
2,2-Dimethyl-1,3-thiazole-3-carbaldehyde
CID 175310274
3-Propyl-1,3-thiazol-2-one
CID 13828888
3-Butyl-1,3-thiazol-2-one
CID 13828889
3-[3-(Dimethylamino)propyl]-1,3-thiazol-2-one
CID 114526781

Frequently Asked Questions

What is the IUPAC name of S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate?
The IUPAC name of S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate (CID 167191445) is S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate.
What is the SMILES notation for S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate?
The canonical SMILES for S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate is C=CSC(=O)N(C=C)C(C)C.
What is the InChIKey of S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate?
The InChIKey is CNGJUJPWOBSVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-5-9(7(3)4)8(10)11-6-2/h5-7H,1-2H2,3-4H3.
What are the key properties of S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate?
S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate has a molecular weight of 171.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethenyl N-ethenyl-N-propan-2-ylcarbamothioate is sourced from PubChem (CID 167191445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).