2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate

C15H33NO3S — CID 87080557

IUPAC2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
SMILESCCOCCO.CCSC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C11H23NOS.C4H10O2/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;1-2-6-4-3-5/h9-10H,6-8H2,1-5H3;5H,2-4H2,1H3
InChIKeyDPVBSNZYXWCWPI-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.49
Rot. Bonds8

About 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate

2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate (PubChem CID 87080557) has the molecular formula C15H33NO3S and a molecular weight of 307.50 g/mol. Its IUPAC name is 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate.

Molecular Properties

Compound Name2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
PubChem CID87080557
Molecular FormulaC15H33NO3S
Molecular Weight307.50 g/mol
Exact Mass307.22
IUPAC Name2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
SMILESCCOCCO.CCSC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C11H23NOS.C4H10O2/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;1-2-6-4-3-5/h9-10H,6-8H2,1-5H3;5H,2-4H2,1H3
InChIKeyDPVBSNZYXWCWPI-UHFFFAOYSA-N
XLogP3.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-ethyl N,N-bis(2-methylpropyl)carbamothioate;2-hydroxyethyl acetate
CID 139485074
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;manganese
CID 88818458
S-ethyl N,N-bis(2-methylpropyl)carbamothioate;titanium
CID 87157632
2-acetyloxyethyl acetate;ethane-1,2-diol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
CID 87080572
ethene;S-ethyl N,N-bis(2-methylpropyl)carbamothioate
CID 87296608
magnesium;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;hydride;titanium
CID 173386535
carbamothioic S-acid;S-ethyl N,N-bis(2-methylpropyl)carbamothioate;S-ethyl N,N-dipropylcarbamothioate
CID 88676434
2-ethoxyethanol;silane
CID 173283937
2-ethoxyethanol;neodymium
CID 174490221
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
2-ethoxyethanol;propanoic acid
CID 71354268
chloroform;2-ethoxyethanol
CID 118659201

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate?
The IUPAC name of 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate (CID 87080557) is 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate.
What is the SMILES notation for 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate?
The canonical SMILES for 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate is CCOCCO.CCSC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate?
The InChIKey is DPVBSNZYXWCWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS.C4H10O2/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;1-2-6-4-3-5/h9-10H,6-8H2,1-5H3;5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate?
2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate has a molecular weight of 307.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;S-ethyl N,N-bis(2-methylpropyl)carbamothioate is sourced from PubChem (CID 87080557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).