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CAS 1118-02-1 Trimethylsilyl Isocyanate molecular structure lightbox
CAS RN: 1118-02-1

Trimethylsilyl Isocyanate

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250305 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260509 25g In stock Shandong Inquiry
Batchno.20260228 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: ICTT1106
  • Purity/Analytical Methods: >95.0%(GC)
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1118-02-1 / isocyanato(trimethyl)silane

Trimethylsilyl isocyanate | Isocyanatotrimethylsilane | Silane, isocyanatotrimethyl-

Standard CAS: 1118-02-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1118-02-1
Multi CAS
Yes
Molecular Formula
C4H9NOSi
Molecular Weight
115.210000
Exact Mass
115.045340
SMILES
C[Si](C)(C)N=C=O
InChI
InChI=1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
InChIKey
NIZHERJWXFHGGU-UHFFFAOYSA-N
Synonyms
Trimethylsilyl isocyanate Isocyanatotrimethylsilane Silane, isocyanatotrimethyl- Trimethylisocyanatosilane EINECS 214-256-8

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.47
TPSA
29.43

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
1.16
Consensus LogP
1.11
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (93.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (91.7%): Toxic if inhaled [Danger Acute toxicity, inhalation] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501

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