(4-methylsulfanylphenyl)thiourea

C8H10N2S2 — CID 1471597

IUPAC(4-methylsulfanylphenyl)thiourea
SMILESCSc1ccc(NC(N)=S)cc1
InChIInChI=1S/C8H10N2S2/c1-12-7-4-2-6(3-5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyVOTIPAXVNVJEBE-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.06
Rot. Bonds2

About (4-methylsulfanylphenyl)thiourea

(4-methylsulfanylphenyl)thiourea (PubChem CID 1471597) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)thiourea.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)thiourea
PubChem CID1471597
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name(4-methylsulfanylphenyl)thiourea
SMILESCSc1ccc(NC(N)=S)cc1
InChIInChI=1S/C8H10N2S2/c1-12-7-4-2-6(3-5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyVOTIPAXVNVJEBE-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylthiourea
CID 676454
N,N''-1,4-Phenylenebis(thiourea)
CID 684351
3-(Methylthio)phenylurea
CID 2731248
Thiourea, N-(3-(methylthio)phenyl)-
CID 2731100
p,p'-Dithiocyanatodiphenylamine
CID 79267
Biuret, 1-phenyl-2,4-dithio-
CID 3032513
Ethyl N-phenylcarbamodithioate
CID 3032584
4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide
CID 756549
1-Butyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2356658
{4-[4-(Carbamothioylamino)benzenesulfonyl]phenyl}thiourea
CID 3101731
N-(4-fluorophenyl)-N'-[3-(methylthio)phenyl]thiourea
CID 2731254
N1-[3-(methylthio)phenyl]-2,2-dimethylhydrazine-1-carbothioamide
CID 2731350

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)thiourea?
The IUPAC name of (4-methylsulfanylphenyl)thiourea (CID 1471597) is (4-methylsulfanylphenyl)thiourea.
What is the SMILES notation for (4-methylsulfanylphenyl)thiourea?
The canonical SMILES for (4-methylsulfanylphenyl)thiourea is CSc1ccc(NC(N)=S)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)thiourea?
The InChIKey is VOTIPAXVNVJEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-12-7-4-2-6(3-5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11).
What are the key properties of (4-methylsulfanylphenyl)thiourea?
(4-methylsulfanylphenyl)thiourea has a molecular weight of 198.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)thiourea is sourced from PubChem (CID 1471597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).