N-(dimethylaminomethylidene)benzenecarbothioamide

C10H12N2S — CID 2774411

IUPACN-(dimethylaminomethylidene)benzenecarbothioamide
SMILESCN(C)/C=N/C(=S)c1ccccc1
InChIInChI=1S/C10H12N2S/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+
InChIKeyYGFQVWXZMGZRJC-DHZHZOJOSA-N
MW192.29 g/mol
LogP1.95
Rot. Bonds2

About N-(dimethylaminomethylidene)benzenecarbothioamide

N-(dimethylaminomethylidene)benzenecarbothioamide (PubChem CID 2774411) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)benzenecarbothioamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)benzenecarbothioamide
PubChem CID2774411
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC NameN-(dimethylaminomethylidene)benzenecarbothioamide
SMILESCN(C)/C=N/C(=S)c1ccccc1
InChIInChI=1S/C10H12N2S/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+
InChIKeyYGFQVWXZMGZRJC-DHZHZOJOSA-N
XLogP1.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)benzenecarbothioamide?
The IUPAC name of N-(dimethylaminomethylidene)benzenecarbothioamide (CID 2774411) is N-(dimethylaminomethylidene)benzenecarbothioamide.
What is the SMILES notation for N-(dimethylaminomethylidene)benzenecarbothioamide?
The canonical SMILES for N-(dimethylaminomethylidene)benzenecarbothioamide is CN(C)/C=N/C(=S)c1ccccc1.
What is the InChIKey of N-(dimethylaminomethylidene)benzenecarbothioamide?
The InChIKey is YGFQVWXZMGZRJC-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H12N2S/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-8+.
What are the key properties of N-(dimethylaminomethylidene)benzenecarbothioamide?
N-(dimethylaminomethylidene)benzenecarbothioamide has a molecular weight of 192.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)benzenecarbothioamide is sourced from PubChem (CID 2774411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).