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CAS 7250-18-2 BENZYL N,N-DIMETHYLDITHIOCARBAMATE molecular structure lightbox
CAS RN: 7250-18-2

BENZYL N,N-DIMETHYLDITHIOCARBAMATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260425 100g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7250-18-2
  • Purity/Analytical Methods: >99.0%
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7250-18-2 / benzyl N,N-dimethylcarbamodithioate

Standard CAS: 7250-18-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7250-18-2
Multi CAS
Yes
Molecular Formula
C10H13NS2
Molecular Weight
211.400000
Exact Mass
211.048942
InChI
InChI=1S/C10H13NS2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey
HLZBIKHKXIJIHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.02
TPSA
3.24

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.67
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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