pentylidenecarbamothioic S-acid

C6H11NOS — CID 91149541

IUPACpentylidenecarbamothioic S-acid
SMILESCCCCC=NC(=O)S
InChIInChI=1S/C6H11NOS/c1-2-3-4-5-7-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyCUNCUILNYVEBFM-UHFFFAOYSA-N
MW145.23 g/mol
LogP2.30
Rot. Bonds3

About pentylidenecarbamothioic S-acid

pentylidenecarbamothioic S-acid (PubChem CID 91149541) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is pentylidenecarbamothioic S-acid.

Molecular Properties

Compound Namepentylidenecarbamothioic S-acid
PubChem CID91149541
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Namepentylidenecarbamothioic S-acid
SMILESCCCCC=NC(=O)S
InChIInChI=1S/C6H11NOS/c1-2-3-4-5-7-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyCUNCUILNYVEBFM-UHFFFAOYSA-N
XLogP2.30
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze pentylidenecarbamothioic S-acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexylidenecarbamothioic S-acid
CID 91574516
N-tridecylidenedodecanamide
CID 87784437
N-pentylideneethanimidamide
CID 153377709
2-hydroxy-2-(pentylideneamino)acetic acid
CID 173173886
(hexylideneamino) carbamate
CID 175176534
tert-butyl (NE)-N-heptylidenecarbamate
CID 135071465
butyl N-(3-iodopropylidene)carbamate
CID 57037484
(nonylideneamino) acetate
CID 90921224
N-decylidenebenzamide
CID 90984528
N-(3-aminopropylidene)undecanamide
CID 87389177
(E)-N-pentoxypentan-1-imine
CID 18714719
N-(iodomethyl)pentan-1-imine
CID 163595054

Frequently Asked Questions

What is the IUPAC name of pentylidenecarbamothioic S-acid?
The IUPAC name of pentylidenecarbamothioic S-acid (CID 91149541) is pentylidenecarbamothioic S-acid.
What is the SMILES notation for pentylidenecarbamothioic S-acid?
The canonical SMILES for pentylidenecarbamothioic S-acid is CCCCC=NC(=O)S.
What is the InChIKey of pentylidenecarbamothioic S-acid?
The InChIKey is CUNCUILNYVEBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-2-3-4-5-7-6(8)9/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of pentylidenecarbamothioic S-acid?
pentylidenecarbamothioic S-acid has a molecular weight of 145.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentylidenecarbamothioic S-acid is sourced from PubChem (CID 91149541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).