carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium

C5H10N2O2S2Ti — CID 87288665

IUPACcarbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium
SMILESC=CCOC(N)=S.NC(=O)S.[Ti]
InChIInChI=1S/C4H7NOS.CH3NOS.Ti/c1-2-3-6-4(5)7;2-1(3)4;/h2H,1,3H2,(H2,5,7);(H3,2,3,4);
InChIKeyJAZSMSJFHSRSLW-UHFFFAOYSA-N
MW242.15 g/mol
LogP0.43
Rot. Bonds2

About carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium

carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium (PubChem CID 87288665) has the molecular formula C5H10N2O2S2Ti and a molecular weight of 242.15 g/mol. Its IUPAC name is carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium.

Molecular Properties

Compound Namecarbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium
PubChem CID87288665
Molecular FormulaC5H10N2O2S2Ti
Molecular Weight242.15 g/mol
Exact Mass241.97
IUPAC Namecarbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium
SMILESC=CCOC(N)=S.NC(=O)S.[Ti]
InChIInChI=1S/C4H7NOS.CH3NOS.Ti/c1-2-3-6-4(5)7;2-1(3)4;/h2H,1,3H2,(H2,5,7);(H3,2,3,4);
InChIKeyJAZSMSJFHSRSLW-UHFFFAOYSA-N
XLogP0.43
TPSA78.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

but-1-ene;bis(carbamothioic S-acid)
CID 87966489
carbamic acid;prop-2-enyl carbamate
CID 87466810
bis(prop-2-enyl) carbonate;ethene
CID 87465968
benzene;prop-2-enyl carbamate
CID 174893735
carbamothioic S-acid;O-[(2-ethenylphenyl)methyl] carbamothioate
CID 87186724
carbamothioic S-acid;prop-1-ene
CID 87430768
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
prop-2-enyl N-sulfanylcarbamate
CID 90994311
prop-2-enyl cyclododecanecarboxylate
CID 139624721
carbamodithioic acid;ethenoxyethene
CID 87921170
iron;prop-2-enyl N,N-bis(sulfanyl)carbamate
CID 87288667

Frequently Asked Questions

What is the IUPAC name of carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium?
The IUPAC name of carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium (CID 87288665) is carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium.
What is the SMILES notation for carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium?
The canonical SMILES for carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium is C=CCOC(N)=S.NC(=O)S.[Ti].
What is the InChIKey of carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium?
The InChIKey is JAZSMSJFHSRSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS.CH3NOS.Ti/c1-2-3-6-4(5)7;2-1(3)4;/h2H,1,3H2,(H2,5,7);(H3,2,3,4);.
What are the key properties of carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium?
carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium has a molecular weight of 242.15 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioic S-acid;O-prop-2-enyl carbamothioate;titanium is sourced from PubChem (CID 87288665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).