S-methyl N-methyl-N-propan-2-ylcarbamothioate

C6H13NOS — CID 139377441

IUPACS-methyl N-methyl-N-propan-2-ylcarbamothioate
SMILESCSC(=O)N(C)C(C)C
InChIInChI=1S/C6H13NOS/c1-5(2)7(3)6(8)9-4/h5H,1-4H3
InChIKeyFANBOBAZKWXAJI-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.81
Rot. Bonds1

About S-methyl N-methyl-N-propan-2-ylcarbamothioate

S-methyl N-methyl-N-propan-2-ylcarbamothioate (PubChem CID 139377441) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is S-methyl N-methyl-N-propan-2-ylcarbamothioate.

Molecular Properties

Compound NameS-methyl N-methyl-N-propan-2-ylcarbamothioate
PubChem CID139377441
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameS-methyl N-methyl-N-propan-2-ylcarbamothioate
SMILESCSC(=O)N(C)C(C)C
InChIInChI=1S/C6H13NOS/c1-5(2)7(3)6(8)9-4/h5H,1-4H3
InChIKeyFANBOBAZKWXAJI-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
CID 174342776
N-methyl-N-propan-2-ylcarbamoyl bromide
CID 115193360
methyl(propan-2-yl)carbamothioic S-acid
CID 21387845
(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
CID 59641758
benzene;methyl(propan-2-yl)carbamic acid
CID 174351923
3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725
S-methyl N,N-bis(2-methylpropyl)carbamothioate
CID 20780776
(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine
CID 135231461
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
2-[methyl(propan-2-yl)amino]prop-2-enoic acid
CID 174803803
2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 103495830
1,1-diethyl-3-methyl-3-propan-2-ylurea
CID 89002923

Frequently Asked Questions

What is the IUPAC name of S-methyl N-methyl-N-propan-2-ylcarbamothioate?
The IUPAC name of S-methyl N-methyl-N-propan-2-ylcarbamothioate (CID 139377441) is S-methyl N-methyl-N-propan-2-ylcarbamothioate.
What is the SMILES notation for S-methyl N-methyl-N-propan-2-ylcarbamothioate?
The canonical SMILES for S-methyl N-methyl-N-propan-2-ylcarbamothioate is CSC(=O)N(C)C(C)C.
What is the InChIKey of S-methyl N-methyl-N-propan-2-ylcarbamothioate?
The InChIKey is FANBOBAZKWXAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(2)7(3)6(8)9-4/h5H,1-4H3.
What are the key properties of S-methyl N-methyl-N-propan-2-ylcarbamothioate?
S-methyl N-methyl-N-propan-2-ylcarbamothioate has a molecular weight of 147.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl N-methyl-N-propan-2-ylcarbamothioate is sourced from PubChem (CID 139377441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).