1-(dimethylamino)-3-phenylthiourea

C9H13N3S — CID 3034493

IUPAC1-(dimethylamino)-3-phenylthiourea
SMILESCN(C)NC(=S)Nc1ccccc1
InChIInChI=1S/C9H13N3S/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,11,13)
InChIKeyIDMWSSMMYXZGQS-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.45
Rot. Bonds2

About 1-(dimethylamino)-3-phenylthiourea

1-(dimethylamino)-3-phenylthiourea (PubChem CID 3034493) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(dimethylamino)-3-phenylthiourea.

Molecular Properties

Compound Name1-(dimethylamino)-3-phenylthiourea
PubChem CID3034493
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name1-(dimethylamino)-3-phenylthiourea
SMILESCN(C)NC(=S)Nc1ccccc1
InChIInChI=1S/C9H13N3S/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,11,13)
InChIKeyIDMWSSMMYXZGQS-UHFFFAOYSA-N
XLogP1.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Phenylthiourea
CID 676454
Diphenylthiourea
CID 700999
1-Allyl-3-phenyl-2-thiourea
CID 1549745
Hydrazinecarbothioamide, N-phenyl-
CID 730679
1-Methyl-3-phenylthiourea
CID 698294
Thiourea, N-ethyl-N-phenyl-
CID 825369
4,5,6-trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione
CID 768560
4-Fluorophenylthiourea
CID 693061
1-(p-(Dimethylamino)phenyl)thiourea
CID 2758514
1-Phenyl-3-propyl-2-thiourea
CID 2760408
(3-Fluorophenyl)thiourea
CID 2734799
Thiourea, N-ethyl-N'-phenyl-
CID 2063659

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-phenylthiourea?
The IUPAC name of 1-(dimethylamino)-3-phenylthiourea (CID 3034493) is 1-(dimethylamino)-3-phenylthiourea.
What is the SMILES notation for 1-(dimethylamino)-3-phenylthiourea?
The canonical SMILES for 1-(dimethylamino)-3-phenylthiourea is CN(C)NC(=S)Nc1ccccc1.
What is the InChIKey of 1-(dimethylamino)-3-phenylthiourea?
The InChIKey is IDMWSSMMYXZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,11,13).
What are the key properties of 1-(dimethylamino)-3-phenylthiourea?
1-(dimethylamino)-3-phenylthiourea has a molecular weight of 195.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-phenylthiourea is sourced from PubChem (CID 3034493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).